2-cyclobutylethan-1-amine

• ChemBase ID: 309107
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: NCCC1CCC1
• Canonical SMILES: NCCC1CCC1
• InChI: InChI=1S/C6H13N/c7-5-4-6-2-1-3-6/h6H,1-5,7H2
• InChIKey: MGAPESYORZVKQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclobutylethan-1-amine
• IUPAC Traditional name: 2-cyclobutylethanamine
• Synonyms: (2-cyclobutylethyl)amine

Database IDs

• CAS Number: 60637-97-0
• MDL Number: MFCD09924416

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0575144
• LogD (pH = 7.4): -1.6327643
• Log P: 0.96630204
• Molar Refractivity: 31.1398 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2