methyl[(1-propyl-1H-imidazol-2-yl)methyl][2-(pyridin-2-yl)ethyl]amine

• ChemBase ID: 704069
• Molecular Formular: C15H22N4
• Molecular Mass: 258.36198
• Monoisotopic Mass: 258.18444672
• SMILES: c1(n(ccn1)CCC)CN(CCc1ncccc1)C
• Canonical SMILES: CCCn1ccnc1CN(CCc1ccccn1)C
• InChI: InChI=1S/C15H22N4/c1-3-10-19-12-9-17-15(19)13-18(2)11-7-14-6-4-5-8-16-14/h4-6,8-9,12H,3,7,10-11,13H2,1-2H3
• InChIKey: KWZAZWPBVINBCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-propyl-1H-imidazol-2-yl)methyl][2-(pyridin-2-yl)ethyl]amine
• IUPAC Traditional name: methyl[(1-propylimidazol-2-yl)methyl][2-(pyridin-2-yl)ethyl]amine
• Synonyms: N-methyl-N-[(1-propyl-1H-imidazol-2-yl)methyl]-2-pyridin-2-ylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.23188473
• LogD (pH = 7.4): 1.6029358
• Log P: 1.7976308
• Molar Refractivity: 77.6847 cm^3
• Polarizability: 30.105412 Å^3
• Polar Surface Area: 33.95 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: 1.6
• LOG S: -0.14
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 7