Mrv1652304272018422D 13 14 0 0 0 0 999 V2000 0.8250 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1975 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1025 -2.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 -2.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -2.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6455 -1.5152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 M END > <DATABASE_ID> CDB005656 > <DATABASE_NAME> CDB > <SMILES> CN1CCCC1C1=CN=C(C)C=C1 > <INCHI_IDENTIFIER> InChI=1S/C11H16N2/c1-9-5-6-10(8-12-9)11-4-3-7-13(11)2/h5-6,8,11H,3-4,7H2,1-2H3 > <INCHI_KEY> SWNIAVIKMKSDBJ-UHFFFAOYSA-N > <FORMULA> C11H16N2 > <MOLECULAR_WEIGHT> 176.263 > <EXACT_MASS> 176.131348523 > <JCHEM_ACCEPTOR_COUNT> 2 > <JCHEM_ATOM_COUNT> 29 > <JCHEM_AVERAGE_POLARIZABILITY> 20.942978283332515 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 1 > <JCHEM_IUPAC> 2-methyl-5-(1-methylpyrrolidin-2-yl)pyridine > <ALOGPS_LOGP> 1.52 > <JCHEM_LOGP> 1.2939048616666669 > <ALOGPS_LOGS> -0.67 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 1 > <JCHEM_PKA_STRONGEST_BASIC> 8.504620251521514 > <JCHEM_POLAR_SURFACE_AREA> 16.130000000000003 > <JCHEM_REFRACTIVITY> 54.246500000000005 > <JCHEM_ROTATABLE_BOND_COUNT> 1 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 3.74e+01 g/l > <JCHEM_TRADITIONAL_IUPAC> 2-methyl-5-(1-methylpyrrolidin-2-yl)pyridine > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB005656 > <GENERIC_NAME> Methylnicotine $$$$