10-azabicyclo[4.3.1]decane

• ChemBase ID: 307635
• Molecular Formular: C9H17N
• Molecular Mass: 139.23798
• Monoisotopic Mass: 139.13609955
• SMILES: N1C2CCCC1CCCC2
• Canonical SMILES: C1CCC2NC(C1)CCC2
• InChI: InChI=1S/C9H17N/c1-2-5-9-7-3-6-8(4-1)10-9/h8-10H,1-7H2
• InChIKey: QWDHUFQYOCRGFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-azabicyclo[4.3.1]decane
• IUPAC Traditional name: 10-azabicyclo[4.3.1]decane
• Synonyms: 10-azabicyclo[4.3.1]decane

Database IDs

• CAS Number: 282-57-5
• MDL Number: MFCD08691647

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1653274
• LogD (pH = 7.4): -0.8980363
• Log P: 2.0719566
• Molar Refractivity: 42.9188 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 12.03 Å^2