[1-(1H-imidazol-1-yl)butan-2-yl](pentan-3-yl)amine

• ChemBase ID: 514093
• Molecular Formular: C12H23N3
• Molecular Mass: 209.33112
• Monoisotopic Mass: 209.18919775
• SMILES: n1cn(cc1)CC(NC(CC)CC)CC
• Canonical SMILES: CCC(Cn1cncc1)NC(CC)CC
• InChI: InChI=1S/C12H23N3/c1-4-11(5-2)14-12(6-3)9-15-8-7-13-10-15/h7-8,10-12,14H,4-6,9H2,1-3H3
• InChIKey: JOKPLPNMZKXACG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(1H-imidazol-1-yl)butan-2-yl](pentan-3-yl)amine
• IUPAC Traditional name: [1-(imidazol-1-yl)butan-2-yl](pentan-3-yl)amine
• Synonyms: (1-ethylpropyl)[1-(1H-imidazol-1-ylmethyl)propyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2458545
• LogD (pH = 7.4): -0.49317583
• Log P: 2.4715736
• Molar Refractivity: 63.7921 cm^3
• Polarizability: 25.174562 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.25
• LOG S: -1.65
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 7