9571002 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 8 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 4 4 5 5 5 6 6 6 7 7 8 9 9 9 10 11 11 11 3 11 4 5 9 10 6 12 13 7 14 15 8 16 17 8 10 18 19 20 21 22 23 24 25 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 3 -1 1 10 7 22 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 2 4.5981 2.866 5.4641 3.732 5.4641 3.732 4.5981 4.5981 2.866 2 5.6762 6.0747 3.1215 3.52 6.0747 5.6762 4.5981 3.9781 4.5981 5.2181 2.3291 2.62 2 1.38 1.75 -1.75 1.25 -1.25 -1.25 -0.25 -0.25 0.25 -2.75 0.25 2.75 -1.8326 -1.1423 -1.1423 -1.8326 -0.3577 0.3326 0.87 -2.75 -3.37 -2.75 -0.06 2.75 3.37 2.75 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 175 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0732000000000000000000000000000000000000000200000000000000000000000001E00040000000C00C10006020003100000A002306300008000002000000008002800180000000001000400000000008800020000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (<I>E</I>)-<I>N</I>-methoxy-1-(1-methyl-3,6-dihydro-2<I>H</I>-pyridin-5-yl)methanimine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-methoxy-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylene]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8H14N2O/c1-10-5-3-4-8(7-10)6-9-11-2/h4,6H,3,5,7H2,1-2H3/b9-6+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YMMXHEYLRHNXAB-RMKNXTFCSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 154.110613074 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H14N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 154.21 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1CCC=C(C1)C=NOC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1CCC=C(C1)/C=N/OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 24.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 154.110613074 11 0 0 0 1 1 0 0 1 -1