7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

• ChemBase ID: 278573
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C1(C2C(C1N)CCO2)(C)C
• Canonical SMILES: NC1C2CCOC2C1(C)C
• InChI: InChI=1S/C8H15NO/c1-8(2)6(9)5-3-4-10-7(5)8/h5-7H,3-4,9H2,1-2H3
• InChIKey: WVSGHWGXPGVBQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
• IUPAC Traditional name: 7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
• Synonyms: 7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

Database IDs

• MDL Number: MFCD20233479
• PubChem SID: 164334483
• PubChem CID: 54594925

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6405451
• LogD (pH = 7.4): -1.9920545
• Log P: 0.37296012
• Molar Refractivity: 39.5086 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.254

Product Information

• Purity: 95%