4-azaspiro[2.5]octane

• ChemBase ID: 307953
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: C12(NCCCC2)CC1
• Canonical SMILES: C1CCC2(NC1)CC2
• InChI: InChI=1S/C7H13N/c1-2-6-8-7(3-1)4-5-7/h8H,1-6H2
• InChIKey: HVFHYYCWZWCTMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-azaspiro[2.5]octane
• IUPAC Traditional name: 4-azaspiro[2.5]octane
• Synonyms: 4-azaspiro[2.5]octane

Database IDs

• CAS Number: 124269-04-1
• MDL Number: MFCD09971209

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.178833
• LogD (pH = 7.4): -1.588228
• Log P: 1.0468209
• Molar Refractivity: 33.9362 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 12.03 Å^2