methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl][(2,6,8-trimethylquinolin-4-yl)methyl]amine

• ChemBase编号: 740413
• 分子式: C20H26N4
• 平均质量: 322.44724
• 单一同位素质量: 322.21574685
• SMILES: c12c(c(cc(n1)C)CN(CCn1c(ncc1)C)C)cc(cc2C)C
• Canonical SMILES: CN(Cc1cc(C)nc2c1cc(C)cc2C)CCn1ccnc1C
• InChI: InChI=1S/C20H26N4/c1-14-10-15(2)20-19(11-14)18(12-16(3)22-20)13-23(5)8-9-24-7-6-21-17(24)4/h6-7,10-12H,8-9,13H2,1-5H3
• InChIKey: TZPGYAZFZKXLCB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl][(2,6,8-trimethylquinolin-4-yl)methyl]amine
• IUPAC传统名: methyl[2-(2-methylimidazol-1-yl)ethyl][(2,6,8-trimethylquinolin-4-yl)methyl]amine
• 别名: N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-[(2,6,8-trimethyl-4-quinolinyl)methyl]ethanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.7212639
• LogD (pH = 7.4): 1.4873596
• Log P: 3.2605019
• 摩尔折射率: 99.5771 cm^3
• 极化性: 39.28423 Å^3
• 极化表面积: 33.95 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 3.63
• LOG S: -4.07
• 极化表面积: 33.95 Å^2
• 可自由旋转的化学键: 5