(2S)-1-{1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl}-2-(dipropylamino)propan-1-one

• ChemBase ID: 554206
• Molecular Formular: C19H38N4O
• Molecular Mass: 338.53122
• Monoisotopic Mass: 338.30456186
• SMILES: C(=O)(N1CCC2(N(CCN(C2)C)C)CC1)[C@@H](N(CCC)CCC)C
• Canonical SMILES: CCCN([C@H](C(=O)N1CCC2(CC1)CN(C)CCN2C)C)CCC
• InChI: InChI=1S/C19H38N4O/c1-6-10-22(11-7-2)17(3)18(24)23-12-8-19(9-13-23)16-20(4)14-15-21(19)5/h17H,6-16H2,1-5H3/t17-/m0/s1
• InChIKey: MBBVKZRPSNCBJO-KRWDZBQOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1-{1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl}-2-(dipropylamino)propan-1-one
• IUPAC Traditional name: (2S)-1-{1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl}-2-(dipropylamino)propan-1-one
• Synonyms: N-[(1S)-2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undec-9-yl)-1-methyl-2-oxoethyl]-N-propylpropan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.915468
• LogD (pH = 7.4): -1.678386
• Log P: 1.4336816
• Molar Refractivity: 102.1182 cm^3
• Polarizability: 40.062817 Å^3
• Polar Surface Area: 30.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.21
• LOG S: -3.56
• Polar Surface Area: 30.03 Å^2
• Rotatable Bonds: 6