[2,2-dimethyl-3-(pyrrolidin-1-yl)propyl](methyl)[2-(2-methyl-1H-imidazol-1-yl)ethyl]amine

• ChemBase ID: 634156
• Molecular Formular: C16H30N4
• Molecular Mass: 278.4362
• Monoisotopic Mass: 278.24704698
• SMILES: n1(c(ncc1)C)CCN(CC(CN1CCCC1)(C)C)C
• Canonical SMILES: CN(CC(CN1CCCC1)(C)C)CCn1ccnc1C
• InChI: InChI=1S/C16H30N4/c1-15-17-7-10-20(15)12-11-18(4)13-16(2,3)14-19-8-5-6-9-19/h7,10H,5-6,8-9,11-14H2,1-4H3
• InChIKey: REKAJSICCCDSNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,2-dimethyl-3-(pyrrolidin-1-yl)propyl](methyl)[2-(2-methyl-1H-imidazol-1-yl)ethyl]amine
• IUPAC Traditional name: [2,2-dimethyl-3-(pyrrolidin-1-yl)propyl](methyl)[2-(2-methylimidazol-1-yl)ethyl]amine
• Synonyms: (2,2-dimethyl-3-pyrrolidin-1-ylpropyl)methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -4.591495
• LogD (pH = 7.4): -1.6429534
• Log P: 1.676238
• Molar Refractivity: 85.5541 cm^3
• Polarizability: 33.263336 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.79
• LOG S: -1.75
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 7