3-[(1R,9aR)-octahydro-1H-quinolizin-1-ylmethoxy]pyridin-2-amine

• ChemBase ID: 590952
• Molecular Formular: C15H23N3O
• Molecular Mass: 261.36262
• Monoisotopic Mass: 261.18411237
• SMILES: N12[C@@H]([C@H](COc3c(nccc3)N)CCC1)CCCC2
• Canonical SMILES: Nc1ncccc1OC[C@@H]1CCCN2[C@@H]1CCCC2
• InChI: InChI=1S/C15H23N3O/c16-15-14(7-3-8-17-15)19-11-12-5-4-10-18-9-2-1-6-13(12)18/h3,7-8,12-13H,1-2,4-6,9-11H2,(H2,16,17)/t12-,13+/m0/s1
• InChIKey: FRIYOIUFZFBGLP-QWHCGFSZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1R,9aR)-octahydro-1H-quinolizin-1-ylmethoxy]pyridin-2-amine
• IUPAC Traditional name: 3-[(1R,9aR)-octahydro-1H-quinolizin-1-ylmethoxy]pyridin-2-amine
• Synonyms: 3-[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethoxy]-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.3190756
• LogD (pH = 7.4): -0.22677135
• Log P: 1.8025305
• Molar Refractivity: 77.3607 cm^3
• Polarizability: 29.733084 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.11
• LOG S: -2.75
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 3