ethyl(oxan-4-ylmethyl)[(1-propyl-1H-imidazol-2-yl)methyl]amine

• ChemBase ID: 594407
• Molecular Formular: C15H27N3O
• Molecular Mass: 265.39438
• Monoisotopic Mass: 265.2154125
• SMILES: c1(n(ccn1)CCC)CN(CC1CCOCC1)CC
• Canonical SMILES: CCCn1ccnc1CN(CC1CCOCC1)CC
• InChI: InChI=1S/C15H27N3O/c1-3-8-18-9-7-16-15(18)13-17(4-2)12-14-5-10-19-11-6-14/h7,9,14H,3-6,8,10-13H2,1-2H3
• InChIKey: YRPLSKRXMALUOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(oxan-4-ylmethyl)[(1-propyl-1H-imidazol-2-yl)methyl]amine
• IUPAC Traditional name: ethyl(oxan-4-ylmethyl)[(1-propylimidazol-2-yl)methyl]amine
• Synonyms: N-[(1-propyl-1H-imidazol-2-yl)methyl]-N-(tetrahydro-2H-pyran-4-ylmethyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.75589097
• LogD (pH = 7.4): 0.92718464
• Log P: 1.7509402
• Molar Refractivity: 79.0939 cm^3
• Polarizability: 30.648083 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: 1.89
• LOG S: -1.74
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7