3301 1 2 3 4 5 6 7 8 9 10 11 12 7 7 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 3 9 10 4 11 12 4 5 6 7 8 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 2.5369 5.135 3.403 4.269 3.8015 3.0044 3.8705 4.6675 2 2.5369 5.672 5.135 -0.25 0.25 0.25 -0.25 0.7249 0.7249 -0.7249 -0.7249 0.06 -0.87 -0.06 0.87 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 6 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0430000000000000000000000000000000000000000000000000000000000000000001C00100000000000C100040000004000000000000000000000000000000000800000000040000000000000000010000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 ethane-1,2-diamine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 ethane-1,2-diamine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 ethane-1,2-diamine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 ethane-1,2-diamine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-aminoethylamine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C2H8N2/c3-1-2-4/h1-4H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 PIICEJLVQHRZGT-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 60.068748 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C2H8N2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 60.09832 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(CN)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(CN)N 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 60.068748 4 0 0 0 0 0 0 0 1 1