2-azaspiro[5.5]undecane

• ChemBase ID: 273527
• Molecular Formular: C10H19N
• Molecular Mass: 153.26456
• Monoisotopic Mass: 153.15174961
• SMILES: N1CC2(CCCCC2)CCC1
• Canonical SMILES: C1CCC2(CC1)CCCNC2
• InChI: InChI=1S/C10H19N/c1-2-5-10(6-3-1)7-4-8-11-9-10/h11H,1-9H2
• InChIKey: VZUJZECRVUMMJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azaspiro[5.5]undecane
• IUPAC Traditional name: 2-azaspiro[5.5]undecane
• Synonyms: 2-azaspiro[5.5]undecane

Database IDs

• CAS Number: 180-48-3
• MDL Number: MFCD02233180
• PubChem SID: 164329437
• PubChem CID: 5006117

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.96194184
• LogD (pH = 7.4): -0.52741754
• Log P: 2.2704415
• Molar Refractivity: 47.7059 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.926

Product Information

• Purity: 95%