{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}(methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine

• ChemBase编号: 391243
• 分子式: C17H26N4O
• 平均质量: 302.41454
• 单一同位素质量: 302.21066147
• SMILES: c1(n(ccn1)CCOC)CN(C(Cc1nccc(c1)C)C)C
• Canonical SMILES: COCCn1ccnc1CN(C(Cc1nccc(c1)C)C)C
• InChI: InChI=1S/C17H26N4O/c1-14-5-6-18-16(11-14)12-15(2)20(3)13-17-19-7-8-21(17)9-10-22-4/h5-8,11,15H,9-10,12-13H2,1-4H3
• InChIKey: PUSMZIOLNZUSSW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}(methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine
• IUPAC传统名: {[1-(2-methoxyethyl)imidazol-2-yl]methyl}(methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine
• 别名: N-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-N-methyl-1-(4-methylpyridin-2-yl)propan-2-amine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.06516231
• LogD (pH = 7.4): 1.4857482
• Log P: 1.8013213
• 摩尔折射率: 88.9156 cm^3
• 极化性: 34.392708 Å^3
• 极化表面积: 43.18 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.02
• LOG S: 0.04
• 极化表面积: 43.18 Å^2
• 可自由旋转的化学键: 8