6-azaspiro[2.5]octane

• ChemBase ID: 273337
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: C12(CC1)CCNCC2
• Canonical SMILES: N1CCC2(CC1)CC2
• InChI: InChI=1S/C7H13N/c1-2-7(1)3-5-8-6-4-7/h8H,1-6H2
• InChIKey: GIBPTWPJEVCTGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-azaspiro[2.5]octane
• IUPAC Traditional name: 6-azaspiro[2.5]octane
• Synonyms: 6-azaspiro[2.5]octane

Database IDs

• MDL Number: MFCD14581272
• PubChem SID: 164329247
• PubChem CID: 22417173

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.450119
• LogD (pH = 7.4): -1.9770061
• Log P: 0.780828
• Molar Refractivity: 34.0569 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%