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

• ChemBase编号: 619981
• 分子式: C14H26N4O
• 平均质量: 266.38244
• 单一同位素质量: 266.21066147
• SMILES: N1(C(CN(CCn2cncc2)C)(C)C)CCOCC1
• Canonical SMILES: CN(CC(N1CCOCC1)(C)C)CCn1cncc1
• InChI: InChI=1S/C14H26N4O/c1-14(2,18-8-10-19-11-9-18)12-16(3)6-7-17-5-4-15-13-17/h4-5,13H,6-12H2,1-3H3
• InChIKey: DIZMTQOBTNGQON-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(1H-imidazol-1-yl)ethyl](methyl)[2-methyl-2-(morpholin-4-yl)propyl]amine
• IUPAC传统名: [2-(imidazol-1-yl)ethyl](methyl)[2-methyl-2-(morpholin-4-yl)propyl]amine
• 别名: N-[2-(1H-imidazol-1-yl)ethyl]-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -3.1610045
• LogD (pH = 7.4): -1.456587
• Log P: 0.5943921
• 摩尔折射率: 78.0792 cm^3
• 极化性: 30.334356 Å^3
• 极化表面积: 33.53 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: 4
• 质子供体: 0
• Log P: 0.4
• LOG S: -0.48
• 极化表面积: 33.53 Å^2
• 可自由旋转的化学键: 6