8-(pyridin-3-yl)-1,5-diazabicyclo[3.2.1]octane

• ChemBase ID: 189391
• Molecular Formular: C11H15N3
• Molecular Mass: 189.2569
• Monoisotopic Mass: 189.1265975
• SMILES: C1(N2CCN1CCC2)c1cnccc1
• Canonical SMILES: c1ccc(cn1)C1N2CCCN1CC2
• InChI: InChI=1S/C11H15N3/c1-3-10(9-12-4-1)11-13-5-2-6-14(11)8-7-13/h1,3-4,9,11H,2,5-8H2
• InChIKey: HXZYKVVUBIUWCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(pyridin-3-yl)-1,5-diazabicyclo[3.2.1]octane
• IUPAC Traditional name: 8-(pyridin-3-yl)-1,5-diazabicyclo[3.2.1]octane

Database IDs

• PubChem SID: 164245301
• PubChem CID: 738492

CALCULATED PROPERTIES

• Molar Refractivity: 56.1279 cm^3
• Polarizability: 22.0777 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6480117
• LogD (pH = 7.4): 0.6409138
• Log P: 0.7584026

PROPERTIES

Product Information

• Description: Sin/Anty Isomers
• Classification: Rare Derivatives of Natural Compounds