6-azaspiro[3.4]octane

• ChemBase ID: 286099
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: N1CC2(CCC2)CC1
• Canonical SMILES: C1CC2(C1)CCNC2
• InChI: InChI=1S/C7H13N/c1-2-7(3-1)4-5-8-6-7/h8H,1-6H2
• InChIKey: NVZWMJWMTWOVNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-azaspiro[3.4]octane
• IUPAC Traditional name: 6-azaspiro[3.4]octane
• Synonyms: 6-azaspiro[3.4]octane

Database IDs

• MDL Number: MFCD09759054
• PubChem SID: 180671630
• PubChem CID: 20521843

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.3039224
• LogD (pH = 7.4): -2.2084584
• Log P: 0.93673545
• Molar Refractivity: 33.9029 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): 1.249

Product Information

• Purity: 95%