59513364 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 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 14 1 1 1 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 3 15 9 15 4 5 16 6 17 18 7 19 20 8 21 22 8 23 24 25 26 10 11 27 12 28 29 13 30 31 14 32 33 14 34 35 36 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 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 4.5981 2.866 4.5981 5.4641 3.732 5.4641 3.732 4.5981 2.866 2 3.732 2 3.732 2.866 3.732 5.135 5.6762 6.0747 3.1215 3.52 6.0747 5.6762 3.52 3.1215 4.9966 4.1996 3.403 1.788 1.3894 4.3426 3.9441 1.3894 1.788 3.9441 4.3426 2.866 0.81 -0.19 1.81 2.31 2.31 3.31 3.31 3.81 -1.19 -1.69 -1.69 -2.69 -2.69 -3.19 0.31 1.5 1.7274 2.4177 2.4177 1.7274 3.2023 3.8926 3.8926 3.2023 4.285 4.285 -0.88 -1.1074 -1.7977 -1.7977 -1.1074 -2.5823 -3.2726 -3.2726 -2.5823 -3.81 1 Compound Canonicalized 5 2019.01.04 0 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 229 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0730000000000000000000000000000000000000000306000000000000000000000001C00000000000828C100040100020000002000000024000000000000000000000000000000020080000000000000000000011000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C13H21N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1,12-13H,2-10H2/q+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FFRXLZVIESLXSE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 205.170473678 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C13H21N2+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 205.32 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCC(CC1)N=C=NC2CC[CH+]CC2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCC(CC1)N=C=NC2CC[CH+]CC2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 24.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 205.170473678 15 0 0 0 0 0 0 0 1 -1