4583925 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 7 7 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 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 10 10 10 11 11 11 12 12 12 3 9 9 10 4 5 13 6 14 15 7 16 17 8 18 19 8 20 21 22 23 11 24 25 12 26 27 28 29 30 1 2 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 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 2.866 4.5981 2.866 2 3.732 2 3.732 2.866 3.732 4.5981 5.4641 5.4641 3.403 1.788 1.3894 4.3426 3.9441 1.3894 1.788 3.9441 4.3426 2.4675 3.2646 4.386 3.9875 5.6762 6.0747 6.0841 5.4641 4.8441 -0.25 0.75 -1.25 -1.75 -1.75 -2.75 -2.75 -3.25 0.25 1.75 2.25 3.25 -0.94 -1.1674 -1.8577 -1.8577 -1.1674 -2.6423 -3.3326 -3.3326 -2.6423 -3.725 -3.725 2.3326 1.6423 1.6674 2.3577 3.25 3.87 3.25 0 Compound Canonicalized 5 2019.01.04 0 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 163 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0730000000000000000000000000000000000000000300000000000000000000000001C00000000000828C100040300020000002000000024000000000000000000000000000000020080000000000000000000011000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H18N2/c1-2-8-11-9-12-10-6-4-3-5-7-10/h10H,2-8H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JYWOMFFQXGEPGT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 166.146998583 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H18N2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 166.26 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCN=C=NC1CCCCC1 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCN=C=NC1CCCCC1 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 2021.05.07 166.146998583 12 0 0 0 0 0 0 0 1 -1