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 9 18 19 10 20 21 11 22 23 12 24 25 13 26 27 13 28 29 14 30 31 14 32 33 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 4.5981 2.866 4.5981 2.866 5.4641 3.732 2 3.732 5.4641 3.732 2 3.732 4.5981 2.866 3.732 5.135 3.403 5.6762 6.0747 3.1215 3.52 1.788 1.3894 4.3426 3.9441 6.0747 5.6762 3.52 3.1215 1.3894 1.788 3.9441 4.3426 4.9966 4.1996 2.4675 3.2646 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 1.4174 2.1077 2.1077 1.4174 -1.4174 -2.1077 -2.1077 -1.4174 2.8923 3.5826 3.5826 2.8923 -2.8923 -3.5826 -3.5826 -2.8923 3.975 3.975 -3.975 -3.975 0 Compound Canonicalized 5 2021.10.14 0 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 201 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371E0730000000000000000000000000000000000000000306000000000000000000000001C00000000000828C100040100020000002000000024000000000000000000000000000000020080000000000000000000011000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 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 1.0.6 InChI iupac.org 2021.10.14 QOSSAOTZNIDXMA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 206.178298710 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H22N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 206.33 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)N=C=NC2CCCCC2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)N=C=NC2CCCCC2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 24.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 206.178298710 15 0 0 0 0 0 0 0 1 -1