(3-methylidenecyclobutyl)methanamine

• ChemBase ID: 90852
• Molecular Formular: C6H11N
• Molecular Mass: 97.15824
• Monoisotopic Mass: 97.08914936
• SMILES: NCC1CC(=C)C1
• Canonical SMILES: NCC1CC(=C)C1
• InChI: InChI=1S/C6H11N/c1-5-2-6(3-5)4-7/h6H,1-4,7H2
• InChIKey: ZYTYWJHGVSRYNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methylidenecyclobutyl)methanamine
• IUPAC Traditional name: (3-methylidenecyclobutyl)methanamine
• Synonyms: 1-(Aminomethyl)-3-methylidenecyclobutane , (3-Methylenecyclobut-1-yl)methylamine; (3-Methylidenecyclobut-1-yl)methylamine; 1-(Aminomethyl)-3-methylenecyclobutane 97%

Database IDs

• CAS Number: 16333-93-0
• MDL Number: MFCD08235202
• PubChem SID: 162077561
• PubChem CID: 17750082

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4848402
• LogD (pH = 7.4): -2.0625148
• Log P: 0.53906035
• Molar Refractivity: 30.7879 cm^3
• Polarizability: 12.366833 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 132-133°C/571mm

Safety Information

• Storage Warning: Corrosive