methyl[2-(2-methylpiperidin-1-yl)ethyl]amine

• ChemBase编号: 307410
• 分子式: C9H20N2
• 平均质量: 156.2685
• 单一同位素质量: 156.16264865
• SMILES: N1(C(C)CCCC1)CCNC
• Canonical SMILES: CNCCN1CCCCC1C
• InChI: InChI=1S/C9H20N2/c1-9-5-3-4-7-11(9)8-6-10-2/h9-10H,3-8H2,1-2H3
• InChIKey: SIKDRLKHNOSSEU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[2-(2-methylpiperidin-1-yl)ethyl]amine
• IUPAC传统名: methyl[2-(2-methylpiperidin-1-yl)ethyl]amine
• 别名: N-methyl-2-(2-methylpiperidin-1-yl)ethanamine

登记号

• CAS号: 915922-23-5
• MDL号: MFCD08059962

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.6933208
• LogD (pH = 7.4): -1.487682
• Log P: 1.0927072
• 摩尔折射率: 49.2733 cm^3
• 极化性: 19.657892 Å^3
• 极化表面积: 15.27 Å^2