1-(aminomethyl)-N-ethyl-N-methylcyclopentan-1-amine

• ChemBase编号: 308323
• 分子式: C9H20N2
• 平均质量: 156.2685
• 单一同位素质量: 156.16264865
• SMILES: C1(N(CC)C)(CN)CCCC1
• Canonical SMILES: CCN(C1(CN)CCCC1)C
• InChI: InChI=1S/C9H20N2/c1-3-11(2)9(8-10)6-4-5-7-9/h3-8,10H2,1-2H3
• InChIKey: MQKVDGKMEDIBFO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(aminomethyl)-N-ethyl-N-methylcyclopentan-1-amine
• IUPAC传统名: 1-(aminomethyl)-N-ethyl-N-methylcyclopentan-1-amine
• 别名: 1-(aminomethyl)-N-ethyl-N-methylcyclopentanamine

登记号

• CAS号: 1094891-06-1
• MDL号: MFCD11053955

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.9249241
• LogD (pH = 7.4): -1.8406464
• Log P: 1.0284642
• 摩尔折射率: 48.9893 cm^3
• 极化性: 19.657892 Å^3
• 极化表面积: 29.26 Å^2