5942 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 7 7 7 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 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 4 5 18 8 23 24 9 25 26 6 10 11 7 12 13 8 14 15 9 16 17 19 20 21 22 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 6.001 9.4651 2.5369 6.8671 5.135 7.7331 4.269 8.5991 3.403 7.2656 6.4685 5.5335 4.7365 7.3346 8.1316 3.8705 4.6675 6.001 8.9976 8.2006 3.8015 3.0044 10.0021 9.4651 2 2.5369 0.06 0.06 0.06 0.56 0.56 0.06 0.06 0.56 0.56 1.035 1.035 1.035 1.035 -0.4149 -0.4149 -0.4149 -0.4149 -0.56 1.035 1.035 1.035 1.035 0.37 -0.56 0.37 -0.56 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 41.6 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0630000000000000000000000000000000000000000000000000000000000000000001C00100000000800C10004000002C000000000000000000000000000000000800800000000000040000400000010008000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(3-aminopropyl)propane-1,3-diamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(3-aminopropyl)propane-1,3-diamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>&apos;-(3-aminopropyl)propane-1,3-diamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(3-aminopropyl)propane-1,3-diamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(3-azanylpropyl)propane-1,3-diamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(3-aminopropyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OTBHHUPVCYLGQO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 131.142247555 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H17N3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 131.22 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CN)CNCCCN SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CN)CNCCCN 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 2021.10.14 131.142247555 9 0 0 0 0 0 0 0 1 -1