71197 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 9 11 29 3 4 5 12 6 13 14 7 15 16 9 17 18 8 19 20 8 21 22 23 24 10 25 26 27 28 30 31 32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 1 10 5 25 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 3.732 2.866 2 3.732 2.866 2 3.732 2.866 3.732 4.5981 4.5981 3.403 1.788 1.3894 4.3426 3.9441 2.654 2.2554 1.3894 1.788 3.9441 4.3426 2.4675 3.2646 4.269 4.2881 5.135 4.9081 3.1951 4.9081 5.135 4.2881 2 -0.5 -1 -1 0.5 -2 -2 -2.5 1 0.5 2.5 -0.19 -0.4174 -1.1077 -1.1077 -0.4174 1.0826 0.3923 -1.8923 -2.5826 -2.5826 -1.8923 -2.975 -2.975 1.31 -0.0369 0.19 1.0369 2.31 1.9631 2.81 3.0369 5 9 1 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 95 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0720000000000000000000000000000000000000000300000000000000000000000001C00100000000D28C10004020002C000000000000000000000000000000000800800000000020080000400000010000000011080800E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-1-cyclohexyl-N-methyl-propan-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-1-cyclohexyl-N-methyl-2-propanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2<I>S</I>)-1-cyclohexyl-<I>N</I>-methylpropan-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-1-cyclohexyl-N-methylpropan-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-1-cyclohexyl-N-methyl-propan-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [(1S)-2-cyclohexyl-1-methyl-ethyl]-methyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3/t9-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JCRIVQIOJSSCQD-VIFPVBQESA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 155.167399674 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H21N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 155.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(CC1CCCCC1)NC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[C@@H](CC1CCCCC1)NC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 12 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 155.167399674 11 1 1 0 0 0 0 0 1 -1