6,6-dimethyl-3-azabicyclo[3.1.0]hexane

• ChemBase ID: 278505
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: C1(C2C1CNC2)(C)C
• Canonical SMILES: CC1(C)C2C1CNC2
• InChI: InChI=1S/C7H13N/c1-7(2)5-3-8-4-6(5)7/h5-6,8H,3-4H2,1-2H3
• InChIKey: BGOMFPZIMJCRDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6-dimethyl-3-azabicyclo[3.1.0]hexane
• IUPAC Traditional name: 6,6-dimethyl-3-azabicyclo[3.1.0]hexane
• Synonyms: 6,6-dimethyl-3-azabicyclo[3.1.0]hexane

Database IDs

• MDL Number: MFCD13176114
• PubChem SID: 164334415
• PubChem CID: 54594901

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6185968
• LogD (pH = 7.4): -2.4972858
• Log P: 0.6216363
• Molar Refractivity: 33.7981 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.429

Product Information

• Purity: 95%