[(1-ethylpiperidin-4-yl)methyl](methyl)amine

• ChemBase编号: 307017
• 分子式: C9H20N2
• 平均质量: 156.2685
• 单一同位素质量: 156.16264865
• SMILES: N1(CCC(CC1)CNC)CC
• Canonical SMILES: CNCC1CCN(CC1)CC
• InChI: InChI=1S/C9H20N2/c1-3-11-6-4-9(5-7-11)8-10-2/h9-10H,3-8H2,1-2H3
• InChIKey: JZZNMTAPZZKQJS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(1-ethylpiperidin-4-yl)methyl](methyl)amine
• IUPAC传统名: [(1-ethylpiperidin-4-yl)methyl](methyl)amine
• 别名: 1-(1-ethylpiperidin-4-yl)-N-methylmethanamine

登记号

• MDL号: MFCD08572187

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -5.996303
• LogD (pH = 7.4): -4.516258
• Log P: 0.6513364
• 摩尔折射率: 49.7111 cm^3
• 极化性: 19.657892 Å^3
• 极化表面积: 15.27 Å^2