1-cyclobutylethan-1-amine

• ChemBase ID: 243612
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: C(C1CCC1)(N)C
• Canonical SMILES: CC(C1CCC1)N
• InChI: InChI=1S/C6H13N/c1-5(7)6-3-2-4-6/h5-6H,2-4,7H2,1H3
• InChIKey: GDGHPMLCHFTAIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclobutylethan-1-amine
• IUPAC Traditional name: 1-cyclobutylethanamine
• Synonyms: 1-cyclobutylethan-1-amine

Database IDs

• MDL Number: MFCD08704272
• PubChem SID: 164299522
• PubChem CID: 21274620

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.011692
• LogD (pH = 7.4): -1.7270174
• Log P: 1.016262
• Molar Refractivity: 30.8806 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

• Hydrophobicity(logP): 1.177

Product Information

• Purity: 95%