7582 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 33 34 35 36 7 6 6 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 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 2 3 24 4 5 14 6 7 15 8 16 17 9 18 19 10 20 21 11 22 23 12 25 26 12 27 28 13 29 30 13 31 32 33 34 35 36 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 1 1 1 1 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 33 34 35 36 2.866 2.866 3.732 2 3.732 4.5981 3.732 2 3.732 5.4641 4.5981 2.866 5.4641 3.403 3.732 1.788 1.3894 4.3426 3.9441 4.1996 4.9966 3.52 3.1215 2.3291 1.3894 1.788 3.9441 4.3426 5.6762 6.0747 4.9966 4.1996 2.4675 3.2646 6.0747 5.6762 0.5 -0.5 1 -1 -1 0.5 2 -2 -2 1 2.5 -2.5 2 -0.19 0.38 -0.4174 -1.1077 -1.1077 -0.4174 0.0251 0.0251 2.5826 1.8923 0.81 -1.8923 -2.5826 -2.5826 -1.8923 0.4174 1.1077 2.975 2.975 -2.975 -2.975 1.8923 2.5826 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 116 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0720000000000000000000000000000000000000000306000000000000000000000001C00100000000828C10004000002C000000000000000000000000000000000800800000000020080000400000010008000011000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexylcyclohexanamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexylcyclohexanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-cyclohexylcyclohexanamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexylcyclohexanamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexylcyclohexanamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dicyclohexylamine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XBPCUCUWBYBCDP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 181.183049738 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H23N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 181.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)NC2CCCCC2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)NC2CCCCC2 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 2021.10.14 181.183049738 13 0 0 0 0 0 0 0 1 -1