(cyclobutylmethyl)(methyl)amine

• ChemBase ID: 268721
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: N(CC1CCC1)C
• Canonical SMILES: CNCC1CCC1
• InChI: InChI=1S/C6H13N/c1-7-5-6-3-2-4-6/h6-7H,2-5H2,1H3
• InChIKey: DFDDLFCSYLTQBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclobutylmethyl)(methyl)amine
• IUPAC Traditional name: (cyclobutylmethyl)(methyl)amine
• Synonyms: (cyclobutylmethyl)methylamine; (cyclobutylmethyl)(methyl)amine

Database IDs

• CAS Number: 67579-87-7
• MDL Number: MFCD11105975
• PubChem SID: 164324631
• PubChem CID: 19830271

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2039778
• LogD (pH = 7.4): -1.8952736
• Log P: 1.0322675
• Molar Refractivity: 31.2364 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.014

Product Information

• Purity: 95%