2-methylcyclopentan-1-amine

• ChemBase编号: 173490
• 分子式: C6H13N
• 平均质量: 99.17412
• 单一同位素质量: 99.10479942
• SMILES: C1C(C(CC1)N)C
• Canonical SMILES: NC1CCCC1C
• InChI: InChI=1S/C6H13N/c1-5-3-2-4-6(5)7/h5-6H,2-4,7H2,1H3
• InChIKey: TYDMZADCGUWTCH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methylcyclopentan-1-amine
• IUPAC传统名: 2-methylcyclopentan-1-amine
• 别名: 2-Methylcyclopentanamine; 2-Methylcyclopentylamine; 2-Methyl Cyclopentanamine

登记号

• CAS号: 41223-14-7
• PubChem SID: 164229400
• PubChem CID: 409747

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.934254
• LogD (pH = 7.4): -1.6708193
• Log P: 1.0942159
• 摩尔折射率: 30.8036 cm^3
• 极化性: 12.598926 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M294640

A cyclopentylamine use in the preparation anti-inflammatory and analgesic amides as well as potential human cytomegalovirus primase inhibitors.

参考文献

• Palomba, M. et al.: Arch. Pharm., 333, 17 (2000)
• Chen, X. et al.: Bioorg. Med. Chem. Lett., 17, 2188 (2000)