(cyclopropylmethyl)[(4-methyl-1H-imidazol-2-yl)methyl](propan-2-yl)amine

• ChemBase ID: 328788
• Molecular Formular: C12H21N3
• Molecular Mass: 207.31524
• Monoisotopic Mass: 207.17354769
• SMILES: n1c([nH]cc1C)CN(CC1CC1)C(C)C
• Canonical SMILES: CC(N(Cc1[nH]cc(n1)C)CC1CC1)C
• InChI: InChI=1S/C12H21N3/c1-9(2)15(7-11-4-5-11)8-12-13-6-10(3)14-12/h6,9,11H,4-5,7-8H2,1-3H3,(H,13,14)
• InChIKey: ZALOUQHPDAZPQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)[(4-methyl-1H-imidazol-2-yl)methyl](propan-2-yl)amine
• IUPAC Traditional name: (cyclopropylmethyl)(isopropyl)[(4-methyl-1H-imidazol-2-yl)methyl]amine
• Synonyms: (cyclopropylmethyl)isopropyl[(4-methyl-1H-imidazol-2-yl)methyl]amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.010351
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1003171
• LogD (pH = 7.4): 0.64185196
• Log P: 1.5546694
• Molar Refractivity: 62.5834 cm^3
• Polarizability: 24.442013 Å^3
• Polar Surface Area: 31.92 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: 1.89
• LOG S: -1.31
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 5