[(5-ethylpyridin-2-yl)methyl](methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine

• ChemBase编号: 646833
• 分子式: C18H25N3
• 平均质量: 283.4112
• 单一同位素质量: 283.20484782
• SMILES: N(C(Cc1nccc(c1)C)C)(Cc1ncc(cc1)CC)C
• Canonical SMILES: CCc1ccc(nc1)CN(C(Cc1nccc(c1)C)C)C
• InChI: InChI=1S/C18H25N3/c1-5-16-6-7-17(20-12-16)13-21(4)15(3)11-18-10-14(2)8-9-19-18/h6-10,12,15H,5,11,13H2,1-4H3
• InChIKey: MYJKQWDNGHPNFJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(5-ethylpyridin-2-yl)methyl](methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine
• IUPAC传统名: [(5-ethylpyridin-2-yl)methyl](methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine
• 别名: N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-1-(4-methylpyridin-2-yl)propan-2-amine

理论计算性质

JChem

• LogD (pH = 7.4): 2.8430514
• Log P: 3.4917138
• 摩尔折射率: 87.6567 cm^3
• 极化性: 34.189026 Å^3
• 极化表面积: 29.02 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.0543698

Provided by Chembridge

• Log P: 2.92
• LOG S: -1.45
• 极化表面积: 29.02 Å^2
• 可自由旋转的化学键: 6
• 质子受体: 3
• 质子供体: 0