8471 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 2 3 4 7 12 13 6 10 11 5 8 9 14 15 16 17 18 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 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 3.732 4.5981 2.866 3.732 2.866 2 5.4641 3.9441 4.3426 3.2646 2.4675 4.9966 4.1996 2.556 2.3291 3.176 1.69 1.4631 2.31 5.1541 6.001 5.7741 0.5 1 1 -0.5 -1 0.5 0.5 -1.0826 -0.3923 1.475 1.475 1.475 1.475 -0.4631 -1.31 -1.5369 1.0369 0.19 -0.0369 -0.0369 0.19 1.0369 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 25.7 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 0 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 00000371C0620000000000000000000000000000000000000000000000000000000000000000001C00000000000000C100040200030000000000000000000000000000000000000800000000000000000000000000008000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-diethylethanamine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-diethylethanamine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-diethylethanamine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-diethylethanamine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 triethylamine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ZMANZCXQSJIPKH-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 2011.09.13 101.120449 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H15N Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 101.19 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCN(CC)CC SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCN(CC)CC Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 3.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 101.120449 7 0 0 0 0 0 0 0 1 1