(2S,6S)-2,6-bis(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine

• ChemBase ID: 185555
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: N1[C@H](C=CC[C@@H]1CC=C)CC=C
• Canonical SMILES: C=CC[C@H]1CC=C[C@@H](N1)CC=C
• InChI: InChI=1S/C11H17N/c1-3-6-10-8-5-9-11(12-10)7-4-2/h3-5,8,10-12H,1-2,6-7,9H2/t10-,11-/m0/s1
• InChIKey: GAYQJEALDMVJON-QWRGUYRKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,6S)-2,6-bis(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine
• IUPAC Traditional name: (2S,6S)-2,6-bis(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine

Database IDs

• PubChem SID: 164241465
• PubChem CID: 6353401

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.61533517
• LogD (pH = 7.4): -0.034719177
• Log P: 2.6108296
• Molar Refractivity: 54.9738 cm^3
• Polarizability: 21.143099 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds