[1-(pyrrolidin-1-yl)cyclopentyl]methanamine

• ChemBase编号: 310414
• 分子式: C10H20N2
• 平均质量: 168.2792
• 单一同位素质量: 168.16264865
• SMILES: N1(C2(CN)CCCC2)CCCC1
• Canonical SMILES: NCC1(CCCC1)N1CCCC1
• InChI: InChI=1S/C10H20N2/c11-9-10(5-1-2-6-10)12-7-3-4-8-12/h1-9,11H2
• InChIKey: BOMNBFHSTDTMEF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [1-(pyrrolidin-1-yl)cyclopentyl]methanamine
• IUPAC传统名: [1-(pyrrolidin-1-yl)cyclopentyl]methanamine
• 别名: 1-[1-(1-pyrrolidinyl)cyclopentyl]methanamine

登记号

• CAS号: 917747-55-8
• MDL号: MFCD09039306

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.9501479
• LogD (pH = 7.4): -2.0353138
• Log P: 1.0774537
• 摩尔折射率: 51.7817 cm^3
• 极化性: 20.7646 Å^3
• 极化表面积: 29.26 Å^2