9-azabicyclo[6.2.0]decane

• ChemBase ID: 238601
• Molecular Formular: C9H17N
• Molecular Mass: 139.23798
• Monoisotopic Mass: 139.13609955
• SMILES: N1C2C(C1)CCCCCC2
• Canonical SMILES: C1CCCC2C(CC1)NC2
• InChI: InChI=1S/C9H17N/c1-2-4-6-9-8(5-3-1)7-10-9/h8-10H,1-7H2
• InChIKey: LWKCFWMJXFWVDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-azabicyclo[6.2.0]decane
• IUPAC Traditional name: 9-azabicyclo[6.2.0]decane
• Synonyms: 9-azabicyclo[6.2.0]decane

Database IDs

• MDL Number: MFCD21758456
• PubChem SID: 164294511
• PubChem CID: 66350535

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2548184
• LogD (pH = 7.4): -1.0551242
• Log P: 1.9839574
• Molar Refractivity: 42.9498 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%