4-{3-[2-(pentan-2-yl)-1H-imidazol-1-yl]propyl}morpholine

• ChemBase ID: 566902
• Molecular Formular: C15H27N3O
• Molecular Mass: 265.39438
• Monoisotopic Mass: 265.2154125
• SMILES: c1(n(ccn1)CCCN1CCOCC1)C(CCC)C
• Canonical SMILES: CCCC(c1nccn1CCCN1CCOCC1)C
• InChI: InChI=1S/C15H27N3O/c1-3-5-14(2)15-16-6-9-18(15)8-4-7-17-10-12-19-13-11-17/h6,9,14H,3-5,7-8,10-13H2,1-2H3
• InChIKey: ZOOZYSXICLOXBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[2-(pentan-2-yl)-1H-imidazol-1-yl]propyl}morpholine
• IUPAC Traditional name: 4-{3-[2-(pentan-2-yl)imidazol-1-yl]propyl}morpholine
• Synonyms: 4-{3-[2-(1-methylbutyl)-1H-imidazol-1-yl]propyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.24497227
• LogD (pH = 7.4): 1.799637
• Log P: 2.19428
• Molar Refractivity: 78.7126 cm^3
• Polarizability: 30.571566 Å^3
• Polar Surface Area: 30.29 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: 1.79
• LOG S: -1.66
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7