54486902 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 7 7 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 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 9 11 11 12 12 12 13 13 13 3 10 10 11 4 5 14 6 15 16 7 17 18 8 19 20 8 21 22 23 24 11 12 25 26 27 28 13 29 30 31 32 33 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 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 2.866 4.5981 2.866 2 3.732 2 3.732 2.866 5.4641 3.732 4.5981 5.4641 6.3301 3.403 1.788 1.3894 4.3426 3.9441 1.3894 1.788 3.9441 4.3426 2.4675 3.2646 5.6762 6.0747 4.386 3.9875 5.252 4.8535 6.6401 6.8671 6.0201 -0.5 0.5 -1.5 -2 -2 -3 -3 -3.5 2 0 1.5 3 3.5 -1.19 -1.4174 -2.1077 -2.1077 -1.4174 -2.8923 -3.5826 -3.5826 -2.8923 -3.975 -3.975 1.4174 2.1077 2.0826 1.3923 3.5826 2.8923 2.9631 3.81 4.0369 0 Compound Canonicalized 5 2019.01.04 0 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 175 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 4 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/C11H20N2/c1-2-3-9-12-10-13-11-7-5-4-6-8-11/h11H,2-9H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XSYIZNZEZNDTPC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 180.162648646 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H20N2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 180.29 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCN=C=NC1CCCCC1 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCN=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 2021.05.07 180.162648646 13 0 0 0 0 0 0 0 1 -1