cyclopentylmethanamine

• ChemBase ID: 117978
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: NCC1CCCC1
• Canonical SMILES: NCC1CCCC1
• InChI: InChI=1S/C6H13N/c7-5-6-3-1-2-4-6/h6H,1-5,7H2
• InChIKey: UBLYEVLMRSPMOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentylmethanamine
• IUPAC Traditional name: cyclopentylmethanamine
• Synonyms: 1-cyclopentylmethanamine; (cyclopentylmethyl)amine; cyclopentylmethanamine

Database IDs

• CAS Number: 6053-81-2; 58714-85-5
• MDL Number: MFCD04114081
• PubChem SID: 162089435
• PubChem CID: 80153

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9800338
• LogD (pH = 7.4): -1.5691254
• Log P: 1.0442557
• Molar Refractivity: 31.0628 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.36

Product Information

• Purity: 95+%