[1-(3,5-dimethylphenyl)cyclopentyl]methanamine

• ChemBase编号: 308159
• 分子式: C14H21N
• 平均质量: 203.32324
• 单一同位素质量: 203.16739968
• SMILES: c1(C2(CN)CCCC2)cc(cc(c1)C)C
• Canonical SMILES: NCC1(CCCC1)c1cc(C)cc(c1)C
• InChI: InChI=1S/C14H21N/c1-11-7-12(2)9-13(8-11)14(10-15)5-3-4-6-14/h7-9H,3-6,10,15H2,1-2H3
• InChIKey: TYQXXAYOCSKPQM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [1-(3,5-dimethylphenyl)cyclopentyl]methanamine
• IUPAC传统名: [1-(3,5-dimethylphenyl)cyclopentyl]methanamine
• 别名: 1-[1-(3,5-dimethylphenyl)cyclopentyl]methanamine

登记号

• CAS号: 1060817-13-1
• MDL号: MFCD11053925

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.595876
• LogD (pH = 7.4): 1.541968
• Log P: 3.5829034
• 摩尔折射率: 65.6383 cm^3
• 极化性: 25.688087 Å^3
• 极化表面积: 26.02 Å^2