N-methylcyclobutanamine

• ChemBase ID: 72029
• Molecular Formular: C5H11N
• Molecular Mass: 85.14754
• Monoisotopic Mass: 85.08914936
• SMILES: C1(CCC1)NC
• Canonical SMILES: CNC1CCC1
• InChI: InChI=1S/C5H11N/c1-6-5-3-2-4-5/h5-6H,2-4H2,1H3
• InChIKey: JSIGUUUNVYUWQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylcyclobutanamine
• IUPAC Traditional name: N-methylcyclobutanamine
• Synonyms: N-Methylcyclobutanamine

Database IDs

• CAS Number: 34066-62-1
• MDL Number: MFCD08445778
• PubChem SID: 162037264
• PubChem CID: 21830191

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5155385
• LogD (pH = 7.4): -2.092714
• Log P: 0.71725476
• Molar Refractivity: 26.5056 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT