| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:39:50 UTC |
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| Update Date | 2020-05-11 20:21:57 UTC |
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| BMDB ID | BMDB0001009 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | N-Methylnicotinium |
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| Description | N-Methylnicotinium belongs to the class of organic compounds known as pyrrolidinylpyridines. Pyrrolidinylpyridines are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring. Based on a literature review very few articles have been published on N-Methylnicotinium. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 1-Methyl-3-(1-methyl-2-pyrrolidinyl)-pyridinium | HMDB | | N-Methylnicotinium acetate | HMDB, MeSH | | N-Methylnicotinium ion | HMDB, MeSH | | Nicotine isomethiodide | HMDB, MeSH | | Nicotine isomethonium ion | HMDB | | N-Methylnicotinium acetate, (R)-isomer | MeSH, HMDB | | N-Methylnicotinium acetate, (S)-isomer | MeSH, HMDB | | N-Methylnicotinium bromide | MeSH, HMDB | | N-Methylnicotinium, (R)-isomer | MeSH, HMDB | | N-Methylnicotinium, (S)-isomer | MeSH, HMDB | | N-Methylnicotinium, (iodide(S))-isomer, 3H-labeled | MeSH, HMDB | | N-Methylnicotinium, bromide(S)-isomer | MeSH, HMDB | | N-Methylnicotinium, iodide(R)-isomer | MeSH, HMDB | | N-Methylnicotinium, iodide(S)-isomer | MeSH, HMDB | | N-Methylnicotinium | MeSH |
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| Chemical Formula | C11H17N2 |
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| Average Molecular Weight | 177.2661 |
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| Monoisotopic Molecular Weight | 177.139173554 |
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| IUPAC Name | 1-methyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium |
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| Traditional Name | nicotine isomethonium ion |
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| CAS Registry Number | 24554-05-0 |
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| SMILES | CN1CCCC1C1=CC=C[N+](C)=C1 |
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| InChI Identifier | InChI=1S/C11H17N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1 |
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| InChI Key | HIOROZIUERMMRQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as pyrrolidinylpyridines. Pyrrolidinylpyridines are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Pyridines and derivatives |
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| Sub Class | Pyrrolidinylpyridines |
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| Direct Parent | Pyrrolidinylpyridines |
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| Alternative Parents | |
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| Substituents | - Pyrrolidinylpyridine
- Alkaloid or derivatives
- N-methylpyridinium
- Aralkylamine
- Pyridinium
- N-alkylpyrrolidine
- Pyrrolidine
- Heteroaromatic compound
- Tertiary aliphatic amine
- Tertiary amine
- Azacycle
- Hydrocarbon derivative
- Organopnictogen compound
- Amine
- Organic nitrogen compound
- Organonitrogen compound
- Organic cation
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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