604690 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 38 39 40 41 42 7 6 6 6 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 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 13 13 14 14 14 15 15 16 16 17 2 9 10 3 4 8 5 18 19 6 20 21 7 22 23 7 24 25 26 27 11 12 13 28 29 14 30 31 15 32 16 33 34 35 36 37 38 39 17 40 17 41 42 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 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 38 39 40 41 42 3.7057 4.6454 3.7794 5.5115 3.7794 5.5115 4.6454 5.1454 2.9397 3.5321 6.1454 4.6454 2 2.5924 6.6454 5.1454 6.1454 3.5674 3.1688 6.122 5.7235 3.1688 3.5674 5.7235 6.122 4.2469 5.044 2.6297 3.4146 4.1521 3.6398 6.4554 4.0254 2.212 1.4174 1.788 2.8044 2.0098 2.3803 7.2654 4.8354 6.4554 0.043 -0.299 -0.799 -0.799 -1.799 -1.799 -2.299 0.567 -0.5998 1.0278 0.567 1.433 -0.2578 1.3698 1.433 2.299 2.299 -0.2164 -0.9067 -0.9067 -0.2164 -1.6914 -2.3816 -2.3816 -1.6914 -2.774 -2.774 -1.1367 -0.9983 1.0278 1.6384 0.0301 1.433 0.3248 -0.0457 -0.8404 1.9524 1.5819 0.7872 1.433 2.836 2.836 8 8 8 8 8 8 8 8 11 12 15 16 11 12 15 16 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 208 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A0000000000000000000000000000000000000000306000000000000000010000001C00000000000C88C118043200830000008002204200008200002000000888000804880820228091118420086080008888071080C00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-diethyl-1-phenyl-cyclohexanamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-diethyl-1-phenyl-1-cyclohexanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>,<I>N</I>-diethyl-1-phenylcyclohexan-1-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-diethyl-1-phenylcyclohexan-1-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-diethyl-1-phenyl-cyclohexan-1-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethyl-(1-phenylcyclohexyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H25N/c1-3-17(4-2)16(13-9-6-10-14-16)15-11-7-5-8-12-15/h5,7-8,11-12H,3-4,6,9-10,13-14H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GRHWLIMQOFAGHA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 231.198699802 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H25N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 231.38 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)C1(CCCCC1)C2=CC=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)C1(CCCCC1)C2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 231.198699802 17 0 0 0 0 0 0 0 1 -1