1.0 2018-07-17 17:25:09 UTC 2020-04-22 15:51:51 UTC BMDB0062277 BMDB62277 Cyclohexylamine Cyclohexylamine, also known as hexahydro-aniline or aminocyclohexane, belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group. Cyclohexylamine exists as a liquid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. Cyclohexanamine 1-amino-CYCLOHEXANE 1-Aminocyclohexane 1-Cyclohexylamine Aminocyclohexane Aminocylcohexane Aminohexahydrobenzene CHA Cyclohexanamine, 9ci Cyclohexyl amine Cyclohexylamine.HCL HAI hexahydro-Aniline hexahydro-Benzenamine Hexahydroaniline Hexahydrobenzenamine Cyclohexylamines C6H13N 99.1741 99.104799421 cyclohexanamine cyclohexylamine 108-91-8 NC1CCCCC1 InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2 PAFZNILMFXTMIY-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group. Organic compounds Organic nitrogen compounds Organonitrogen compounds Cyclohexylamines Cyclohexylamines Hydrocarbon derivatives Monoalkylamines Organopnictogen compounds Aliphatic homomonocyclic compound Amine Cyclohexylamine Hydrocarbon derivative Organopnictogen compound Primary aliphatic amine Primary amine Aliphatic homomonocyclic compounds a small molecule primary aliphatic amine Liquid melting_point -18 °C water_solubility 1000 mg/mL at 20 °C logp 1.49 logp 1.30 ALOGPS logs -1.10 ALOGPS logp 1.17 ChemAxon pka_strongest_basic 10.45 ChemAxon iupac cyclohexanamine ChemAxon average_mass 99.1741 ChemAxon mono_mass 99.104799421 ChemAxon smiles NC1CCCCC1 ChemAxon formula C6H13N ChemAxon inchi InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2 ChemAxon inchikey PAFZNILMFXTMIY-UHFFFAOYSA-N ChemAxon polar_surface_area 26.02 ChemAxon refractivity 30.93 ChemAxon polarizability 12.44 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 4418 Specdb::MsIr 4419 Specdb::MsIr 4420 Specdb::MsMs 75885 Specdb::MsMs 75886 Specdb::MsMs 75887 Specdb::MsMs 135603 Specdb::MsMs 135604 Specdb::MsMs 135605 Specdb::MsMs 445915 Specdb::MsMs 445916 Specdb::MsMs 445917 Specdb::MsMs 445918 Specdb::MsMs 445919 Specdb::MsMs 452313 Specdb::MsMs 2226510 Specdb::MsMs 2228183 Specdb::MsMs 2228964 Specdb::MsMs 2230499 Specdb::MsMs 2231266 Specdb::MsMs 2232747 Specdb::MsMs 2232914 Specdb::MsMs 2233620 Specdb::MsMs 2235344 Specdb::MsMs 2252539 Specdb::MsMs 2253959 Specdb::MsMs 2258714 Specdb::MsMs 2459656 Specdb::CMs 26335 Specdb::CMs 27277 Specdb::CMs 27634 Specdb::CMs 31784 Specdb::CMs 100758 Specdb::CMs 100759 Specdb::CMs 100760 Specdb::CMs 146483 Specdb::NmrOneD 163729 Specdb::NmrOneD 163730 Specdb::NmrOneD 163731 Specdb::NmrOneD 163732 Specdb::NmrOneD 163733 Specdb::NmrOneD 163734 Specdb::NmrOneD 163735 Specdb::NmrOneD 163736 Specdb::NmrOneD 163737 Specdb::NmrOneD 163738 Specdb::NmrOneD 163739 Specdb::NmrOneD 163740 Specdb::NmrOneD 163741 Specdb::NmrOneD 163742 Specdb::NmrOneD 163743 Specdb::NmrOneD 163744 Specdb::NmrOneD 163745 Specdb::NmrOneD 163746 Specdb::NmrOneD 163747 Specdb::NmrOneD 163748 Milk Fermented milk, by capillary electrophoresis-TOFMS Hagi T, Kobayashi M, Nomura M: Metabolome analysis of milk fermented by gamma-aminobutyric acid-producing Lactococcus lactis. J Dairy Sci. 2016 Feb;99(2):994-1001. doi: 10.3168/jds.2015-9945. Epub 2015 Dec 10. 26686724 FDB003478 7677 7965 C00571 15773 C00044142 CPD-303 Cyclohexylamine Hagi T, Kobayashi M, Nomura M: Metabolome analysis of milk fermented by gamma-aminobutyric acid-producing Lactococcus lactis. J Dairy Sci. 2016 Feb;99(2):994-1001. doi: 10.3168/jds.2015-9945. Epub 2015 Dec 10. 26686724