428 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 7 7 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 3 4 4 5 5 4 12 13 5 14 15 4 5 6 7 8 9 10 11 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 2.5369 6.001 4.269 3.403 5.135 3.8705 4.6675 3.8015 3.0044 5.5335 4.7365 2 2.5369 6.538 6.001 0.06 0.06 0.06 0.56 0.56 -0.4149 -0.4149 1.035 1.035 1.035 1.035 0.37 -0.56 0.37 -0.56 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 12.4 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0430000000000000000000000000000000000000000000000000000000000000000001C00100000000800C100040000004000000000000000000000000000000000800000000000000040000000000010000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 propane-1,3-diamine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 propane-1,3-diamine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 propane-1,3-diamine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 propane-1,3-diamine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 3-aminopropylamine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 XFNJVJPLKCPIBV-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 74.084398 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C3H10N2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 74.1249 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(CN)CN SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(CN)CN Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 52 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 74.084398 5 0 0 0 0 0 0 0 1 1