1-methylcyclopentan-1-amine

• ChemBase ID: 259047
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: C1(N)(C)CCCC1
• Canonical SMILES: CC1(N)CCCC1
• InChI: InChI=1S/C6H13N/c1-6(7)4-2-3-5-6/h2-5,7H2,1H3
• InChIKey: TWASBYPJZBHZQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylcyclopentan-1-amine
• IUPAC Traditional name: cyclopentanamine, 1-methyl-
• Synonyms: 1-methylcyclopentan-1-amine; (1-methylcyclopentyl)amine

Database IDs

• CAS Number: 40571-45-7
• MDL Number: MFCD11977337
• PubChem SID: 164314957
• PubChem CID: 520998

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.020327
• LogD (pH = 7.4): -1.8343966
• Log P: 1.0098196
• Molar Refractivity: 30.9702 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.327

Product Information

• Purity: 95%