8111 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 7 7 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 4 5 12 6 17 18 7 19 20 6 8 9 7 10 11 13 14 15 16 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 5.135 7.7331 2.5369 6.001 4.269 6.8671 3.403 6.3996 5.6025 4.6675 3.8705 5.135 6.4685 7.2656 3.0044 3.8015 8.27 7.7331 2 2.5369 -0.25 0.25 0.25 0.25 0.25 -0.25 -0.25 0.7249 0.7249 0.7249 0.7249 -0.87 -0.7249 -0.7249 -0.7249 -0.7249 -0.06 0.87 -0.06 0.87 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 26.1 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0630000000000000000000000000000000000000000000000000000000000000000001C00100000000000C10004000002C000000000000000000000000000000000800800000040000000001000000010008000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(2-aminoethyl)ethane-1,2-diamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(2-aminoethyl)ethane-1,2-diamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>&apos;-(2-aminoethyl)ethane-1,2-diamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(2-aminoethyl)ethane-1,2-diamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(2-azanylethyl)ethane-1,2-diamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(2-aminoethyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RPNUMPOLZDHAAY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 103.110947427 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H13N3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 103.17 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CNCCN)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CNCCN)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 64.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 103.110947427 7 0 0 0 0 0 0 0 1 -1