3,3-dimethylazetidine

• ChemBase ID: 263262
• Molecular Formular: C5H11N
• Molecular Mass: 85.14754
• Monoisotopic Mass: 85.08914936
• SMILES: N1CC(C1)(C)C
• Canonical SMILES: CC1(C)CNC1
• InChI: InChI=1S/C5H11N/c1-5(2)3-6-4-5/h6H,3-4H2,1-2H3
• InChIKey: RLVVIGIYIMDCAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethylazetidine
• IUPAC Traditional name: 3,3-dimethylazetidine
• Synonyms: 3,3-dimethylazetidine

Database IDs

• MDL Number: MFCD11186824
• PubChem SID: 164319172
• PubChem CID: 12674607

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.566398
• LogD (pH = 7.4): -2.1685061
• Log P: 0.66723144
• Molar Refractivity: 26.3491 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.855

Product Information

• Purity: 95%