9,9-dimethoxy-3-azabicyclo[3.3.1]nonane

• ChemBase ID: 257795
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: C1(C2CNCC1CCC2)(OC)OC
• Canonical SMILES: COC1(OC)C2CCCC1CNC2
• InChI: InChI=1S/C10H19NO2/c1-12-10(13-2)8-4-3-5-9(10)7-11-6-8/h8-9,11H,3-7H2,1-2H3
• InChIKey: JPEDLBXNIHZJTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,9-dimethoxy-3-azabicyclo[3.3.1]nonane
• IUPAC Traditional name: 9,9-dimethoxy-3-azabicyclo[3.3.1]nonane
• Synonyms: 9,9-dimethoxy-3-azabicyclo[3.3.1]nonane

Database IDs

• MDL Number: MFCD10686956
• PubChem SID: 164313705
• PubChem CID: 43431232

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8459677
• LogD (pH = 7.4): -1.1228544
• Log P: 1.3715833
• Molar Refractivity: 50.6054 cm^3
• Polarizability: 20.602833 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.049

Product Information

• Purity: 95%