1.0 2016-10-03 18:35:39 UTC 2020-04-22 15:49:31 UTC BMDB0012296 BMDB12296 Trimethylaminoacetone (2-Oxopropyl)trimethylammonium Acetonyltrimethylammonium N,N,N-Trimethyl-2-oxo-1-propanaminium Acetonyltrimethylammonium hydroxide C6H14NO 116.1815 116.107539075 trimethyl(2-oxopropyl)azanium trimethyl(2-oxopropyl)azanium 13429-97-5 CC(=O)C[N+](C)(C)C InChI=1S/C6H14NO/c1-6(8)5-7(2,3)4/h5H2,1-4H3/q+1 LFWNPKYGVKNNAB-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha-amino ketones. These are ketones containing a carboxylic acid, and an amine group attached to the alpha carbon atom relative to C=O group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Alpha-amino ketones Amines Hydrocarbon derivatives Organic cations Organic oxides Organic salts Organopnictogen compounds Tetraalkylammonium salts Aliphatic acyclic compound Alpha-aminoketone Amine Hydrocarbon derivative Organic cation Organic nitrogen compound Organic oxide Organic salt Organonitrogen compound Organopnictogen compound Quaternary ammonium salt Tetraalkylammonium salt Aliphatic acyclic compounds a small molecule Solid logp -2.68 ALOGPS logs -2.37 ALOGPS logp -4.2 ChemAxon pka_strongest_acidic 17.77 ChemAxon pka_strongest_basic -8.5 ChemAxon iupac trimethyl(2-oxopropyl)azanium ChemAxon average_mass 116.1815 ChemAxon mono_mass 116.107539075 ChemAxon smiles CC(=O)C[N+](C)(C)C ChemAxon formula C6H14NO ChemAxon inchi InChI=1S/C6H14NO/c1-6(8)5-7(2,3)4/h5H2,1-4H3/q+1 ChemAxon inchikey LFWNPKYGVKNNAB-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 45.54 ChemAxon polarizability 13.57 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 302755 Specdb::MsMs 302756 Specdb::MsMs 302757 Specdb::MsMs 3062353 Specdb::MsMs 3062354 Specdb::MsMs 3062355 Specdb::CMs 16639 Specdb::CMs 164339 Specdb::NmrOneD 97098 Specdb::NmrOneD 97099 Specdb::NmrOneD 97100 Specdb::NmrOneD 97101 Specdb::NmrOneD 97102 Specdb::NmrOneD 97103 Specdb::NmrOneD 97104 Specdb::NmrOneD 97105 Specdb::NmrOneD 97106 Specdb::NmrOneD 97107 Specdb::NmrOneD 97108 Specdb::NmrOneD 97109 Specdb::NmrOneD 97110 Specdb::NmrOneD 97111 Specdb::NmrOneD 97112 Specdb::NmrOneD 97113 Specdb::NmrOneD 97114 Specdb::NmrOneD 97115 Specdb::NmrOneD 97116 Specdb::NmrOneD 97117 FDB028921 133796 151806 CPD-5621