2-methylcyclopentan-1-amine

• ChemBase ID: 173490
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylcyclopentan-1-amine
• IUPAC Traditional name: 2-methylcyclopentan-1-amine
• Synonyms: 2-Methylcyclopentanamine; 2-Methylcyclopentylamine; 2-Methyl Cyclopentanamine

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.934254
• LogD (pH = 7.4): -1.6708193
• Log P: 1.0942159
• Molar Refractivity: 30.8036 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M294640

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

REFERENCES

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