N-methylcyclopentanamine

• ChemBase ID: 118286
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: N(C1CCCC1)C
• Canonical SMILES: CNC1CCCC1
• InChI: InChI=1S/C6H13N/c1-7-6-4-2-3-5-6/h6-7H,2-5H2,1H3
• InChIKey: KKTBUCVHSCATGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylcyclopentanamine
• IUPAC Traditional name: N-methylcyclopentanamine
• Synonyms: N-Methylcyclopentanamine; N-cyclopentyl-N-methylamine

Database IDs

• CAS Number: 2439-56-7
• MDL Number: MFCD00019277
• PubChem SID: 162102535
• PubChem CID: 7020624

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.075067
• LogD (pH = 7.4): -1.7916017
• Log P: 1.1618234
• Molar Refractivity: 31.1066 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.436
• Hydrophobicity(logP): 0.954

Product Information

• Purity: 95%; 95+%