N-[2-(2-cyclohexyl-1H-imidazol-1-yl)ethyl]-3-methylpyridin-4-amine

• ChemBase ID: 539891
• Molecular Formular: C17H24N4
• Molecular Mass: 284.39926
• Monoisotopic Mass: 284.20009679
• SMILES: c1(n(ccn1)CCNc1c(cncc1)C)C1CCCCC1
• Canonical SMILES: Cc1cnccc1NCCn1ccnc1C1CCCCC1
• InChI: InChI=1S/C17H24N4/c1-14-13-18-8-7-16(14)19-9-11-21-12-10-20-17(21)15-5-3-2-4-6-15/h7-8,10,12-13,15H,2-6,9,11H2,1H3,(H,18,19)
• InChIKey: VCBRBQFVAJNIMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-cyclohexyl-1H-imidazol-1-yl)ethyl]-3-methylpyridin-4-amine
• IUPAC Traditional name: N-[2-(2-cyclohexylimidazol-1-yl)ethyl]-3-methylpyridin-4-amine
• Synonyms: N-[2-(2-cyclohexyl-1H-imidazol-1-yl)ethyl]-3-methylpyridin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9428838
• LogD (pH = 7.4): 1.8126904
• Log P: 2.8852668
• Molar Refractivity: 86.7195 cm^3
• Polarizability: 32.58652 Å^3
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.26
• LOG S: -4.06
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 5