1.0 2020-04-02 17:48:03 UTC 2020-04-02 17:48:04 UTC FDB097316 lupinine C15H24N2O 248.37 248.188863401 [(1R,9aR)-octahydro-1H-quinolizin-1-yl]methanol (-)-lupinine O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1CCCCN1C3 InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/t11-,12-,13-,14+/m0/s1 JYIJIIVLEOETIQ-XDQVBPFNSA-N belongs to the class of organic compounds known as lupinine-type alkaloids. These are lupin alkaloids with a structure based on the lupinine skeleton, which is a bicyclic compound consisting of a quinolizidine. Lupinine-type alkaloids Organic compounds Alkaloids and derivatives Lupin alkaloids Lupinine-type alkaloids Aliphatic heteropolycyclic compounds 1,3-aminoalcohols Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Piperidines Primary alcohols Quinolizidines Quinolizines Trialkylamines 1,3-aminoalcohol Alcohol Aliphatic heteropolycyclic compound Amine Azacycle Hydrocarbon derivative Lupinine Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperidine Primary alcohol Quinolizidine Quinolizine Tertiary aliphatic amine Tertiary amine Quinolizidine alkaloids quinolizidine alkaloid logp 1.54 ALOGPS logs -0.50 ALOGPS solubility 5.32e+01 g/l ALOGPS logp 0.92 ChemAxon pka_strongest_acidic 15.42 ChemAxon pka_strongest_basic 9.88 ChemAxon iupac [(1R,9aR)-octahydro-1H-quinolizin-1-yl]methanol ChemAxon average_mass 248.37 ChemAxon mono_mass 248.188863401 ChemAxon smiles O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1CCCCN1C3 ChemAxon formula C15H24N2O ChemAxon inchi InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/t11-,12-,13-,14+/m0/s1 ChemAxon inchikey JYIJIIVLEOETIQ-XDQVBPFNSA-N ChemAxon polar_surface_area 23.47 ChemAxon refractivity 50.24 ChemAxon polarizability 20.2 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5757 Specdb::MsMs 240442 Specdb::MsMs 240443 Specdb::MsMs 240444 Specdb::MsMs 242497 Specdb::MsMs 242498 Specdb::MsMs 242499 Milk (Cow) Type 2 specific 1.8625 3.0 0.7 uM