N-cyclopentyl-3-methylcyclohexan-1-amine

• ChemBase编号: 311306
• 分子式: C12H23N
• 平均质量: 181.31772
• 单一同位素质量: 181.18304974
• SMILES: N(C1CC(CCC1)C)C1CCCC1
• Canonical SMILES: CC1CCCC(C1)NC1CCCC1
• InChI: InChI=1S/C12H23N/c1-10-5-4-8-12(9-10)13-11-6-2-3-7-11/h10-13H,2-9H2,1H3
• InChIKey: ZAYHAPKVIWMDAG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-3-methylcyclohexan-1-amine
• IUPAC传统名: N-cyclopentyl-3-methylcyclohexan-1-amine
• 别名: N-cyclopentyl-3-methylcyclohexanamine

登记号

• MDL号: MFCD08691750

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.00817191
• LogD (pH = 7.4): 0.14639099
• Log P: 3.248113
• 摩尔折射率: 56.6694 cm^3
• 极化性: 22.937813 Å^3
• 极化表面积: 12.03 Å^2