6363 1 2 3 4 5 6 7 8 9 10 11 12 13 7 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 2 12 13 3 4 5 6 7 8 9 10 11 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 2.5369 3.403 4.269 3.403 3.403 3.959 4.8059 4.579 4.023 3.403 2.783 2 2.5369 -0.44 0.06 -0.44 1.06 -0.56 -0.9769 -0.75 0.0969 1.06 1.68 1.06 -0.13 -1.06 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 10.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0420000000000000000000000000000000000000000000000000000000000000000001C00100000000828C100040200004000000000000000000000000000000000800000000000000000000000000010000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 propan-2-amine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-propanamine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 propan-2-amine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 propan-2-amine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 isopropylamine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 JJWLVOIRVHMVIS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 59.073499 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C3H9N Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 59.11026 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC(C)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC(C)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 26 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 59.073499 4 0 0 0 0 0 0 0 1 1