[(1-ethyl-1H-imidazol-2-yl)methyl](methyl){[1-(piperidin-1-yl)cyclohexyl]methyl}amine

• ChemBase编号: 451884
• 分子式: C19H34N4
• 平均质量: 318.50006
• 单一同位素质量: 318.27834711
• SMILES: c1(n(ccn1)CC)CN(CC1(N2CCCCC2)CCCCC1)C
• Canonical SMILES: CCn1ccnc1CN(CC1(CCCCC1)N1CCCCC1)C
• InChI: InChI=1S/C19H34N4/c1-3-22-15-12-20-18(22)16-21(2)17-19(10-6-4-7-11-19)23-13-8-5-9-14-23/h12,15H,3-11,13-14,16-17H2,1-2H3
• InChIKey: QXVCALOTJDNDFN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(1-ethyl-1H-imidazol-2-yl)methyl](methyl){[1-(piperidin-1-yl)cyclohexyl]methyl}amine
• IUPAC传统名: [(1-ethylimidazol-2-yl)methyl](methyl){[1-(piperidin-1-yl)cyclohexyl]methyl}amine
• 别名: 1-(1-ethyl-1H-imidazol-2-yl)-N-methyl-N-{[1-(1-piperidinyl)cyclohexyl]methyl}methanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.87207234
• LogD (pH = 7.4): 0.13770628
• Log P: 3.041873
• 摩尔折射率: 97.5927 cm^3
• 极化性: 38.139927 Å^3
• 极化表面积: 24.3 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.67
• LOG S: -3.65
• 极化表面积: 24.3 Å^2
• 可自由旋转的化学键: 6