8-azaspiro[4.5]decane

• ChemBase ID: 125998
• Molecular Formular: C9H17N
• Molecular Mass: 139.23798
• Monoisotopic Mass: 139.13609955
• SMILES: N1CCC2(CCCC2)CC1
• Canonical SMILES: N1CCC2(CC1)CCCC2
• InChI: InChI=1S/C9H17N/c1-2-4-9(3-1)5-7-10-8-6-9/h10H,1-8H2
• InChIKey: AXMNGEUJXLXFRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-azaspiro[4.5]decane
• IUPAC Traditional name: azaspirodecane
• Synonyms: Azaspirodecane; 8-azaspiro[4.5]decane

Database IDs

• CAS Number: 176-64-7
• MDL Number: MFCD08361562
• PubChem SID: 162220341
• PubChem CID: 437152
• Chemspider ID: 386671
• Wikipedia Title: Azaspirodecane

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5609816
• LogD (pH = 7.4): -1.087869
• Log P: 1.6699653
• Molar Refractivity: 43.2589 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.367

Product Information

• Purity: 95%