2-azaspiro[5.5]undec-8-ene

• ChemBase ID: 274916
• Molecular Formular: C10H17N
• Molecular Mass: 151.24868
• Monoisotopic Mass: 151.13609955
• SMILES: N1CC2(CC=CCC2)CCC1
• Canonical SMILES: C1CCC2(CN1)CCC=CC2
• InChI: InChI=1S/C10H17N/c1-2-5-10(6-3-1)7-4-8-11-9-10/h1-2,11H,3-9H2
• InChIKey: OLDQPXDXLMZREX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azaspiro[5.5]undec-8-ene
• IUPAC Traditional name: 2-azaspiro[5.5]undec-8-ene
• Synonyms: 2-azaspiro[5.5]undec-8-ene

Database IDs

• MDL Number: MFCD13179123
• PubChem SID: 164330826
• PubChem CID: 13106448

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3245264
• LogD (pH = 7.4): -0.90909296
• Log P: 1.9085197
• Molar Refractivity: 48.8225 cm^3
• Polarizability: 19.011446 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.442

Product Information

• Purity: 95%