7993 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 7 7 6 6 6 6 6 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 6 6 6 7 7 7 3 6 7 5 20 21 4 8 9 5 10 11 12 13 14 15 16 17 18 19 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 2.866 6.3301 3.732 4.5981 5.4641 2 2.866 4.1306 3.3335 4.1996 4.9966 5.8626 5.0656 2.31 1.4631 1.69 2.246 2.866 3.486 6.8671 6.3301 0.25 0.25 0.75 0.25 0.75 0.75 -0.75 1.225 1.225 -0.2249 -0.2249 1.225 1.225 1.2869 1.06 0.2131 -0.75 -1.37 -0.75 0.56 -0.37 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 35.1 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0630000000000000000000000000000000000000000000000000000000000000000001C00100000000800C100040200034000000000000000000000000000000000800800000000000040000400000010000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N',N'-dimethylpropane-1,3-diamine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N',N'-dimethylpropane-1,3-diamine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N',N'-dimethylpropane-1,3-diamine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N',N'-dimethylpropane-1,3-diamine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 3-aminopropyl(dimethyl)amine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 IUNMPGNGSSIWFP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 102.115698 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H14N2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 102.17806 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CN(C)CCCN SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CN(C)CCCN Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 29.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 102.115698 7 0 0 0 0 0 0 0 1 1