[(1,2-dimethyl-1H-imidazol-5-yl)methyl](methyl)[2-(pyridin-4-yl)ethyl]amine

• ChemBase ID: 763118
• Molecular Formular: C14H20N4
• Molecular Mass: 244.3354
• Monoisotopic Mass: 244.16879666
• SMILES: c1(n(c(nc1)C)C)CN(CCc1ccncc1)C
• Canonical SMILES: CN(Cc1cnc(n1C)C)CCc1ccncc1
• InChI: InChI=1S/C14H20N4/c1-12-16-10-14(18(12)3)11-17(2)9-6-13-4-7-15-8-5-13/h4-5,7-8,10H,6,9,11H2,1-3H3
• InChIKey: RQBLBRQOYFQDMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1,2-dimethyl-1H-imidazol-5-yl)methyl](methyl)[2-(pyridin-4-yl)ethyl]amine
• IUPAC Traditional name: [(2,3-dimethylimidazol-4-yl)methyl](methyl)[2-(pyridin-4-yl)ethyl]amine
• Synonyms: N-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.0451045
• LogD (pH = 7.4): -0.05325847
• Log P: 0.8583764
• Molar Refractivity: 73.9811 cm^3
• Polarizability: 28.179285 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.24
• LOG S: 0.61
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5