10868 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 37 7 7 6 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 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 12 13 13 14 14 3 15 4 15 5 6 16 7 8 17 12 24 25 9 22 23 11 20 21 10 18 19 13 32 33 14 30 31 14 28 29 13 26 27 34 35 36 37 1 2 1 2 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 37 2.866 4.5981 2.866 4.5981 2 3.732 5.4641 3.732 3.732 3.732 5.4641 2 2.866 4.5981 3.732 3.403 5.135 3.1215 3.52 5.6762 6.0747 4.3426 3.9441 1.788 1.3894 1.3894 1.788 6.0747 5.6762 3.52 3.1215 3.9441 4.3426 2.4675 3.2646 4.9966 4.1996 -0.5 0.5 -1.5 1.5 -2 -2 2 2 -3 3 3 -3 -3.5 3.5 0 -1.19 1.19 2.1077 1.4174 1.4174 2.1077 -2.1077 -1.4174 -1.4174 -2.1077 -2.8923 -3.5826 2.8923 3.5826 3.5826 2.8923 -3.5826 -2.8923 -3.975 -3.975 3.975 3.975 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 201 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E0730000000000000000000000000000000000000000306000000000000000000000001C00000000000828C100040100020000002000000024000000000000000000000000000000020080000000000000000000011000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N'-dicyclohexylmethanediimine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N'-dicyclohexylmethanediimine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N'-dicyclohexylmethanediimine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N'-dicyclohexylmethanediimine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclohexyl(cyclohexyliminomethylene)amine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 QOSSAOTZNIDXMA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 4.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 206.178299 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C13H22N2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 206.32718 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1CCC(CC1)N=C=NC2CCCCC2 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1CCC(CC1)N=C=NC2CCCCC2 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 24.7 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 206.178299 15 0 0 0 0 0 0 0 1 1