(1R,9aR)-octahydro-1H-quinolizin-1-ylmethyl nonanoate

• ChemBase ID: 186366
• Molecular Formular: C19H35NO2
• Molecular Mass: 309.4867
• Monoisotopic Mass: 309.26677937
• SMILES: N12[C@@H]([C@H](COC(=O)CCCCCCCC)CCC1)CCCC2
• Canonical SMILES: CCCCCCCCC(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2
• InChI: InChI=1S/C19H35NO2/c1-2-3-4-5-6-7-13-19(21)22-16-17-11-10-15-20-14-9-8-12-18(17)20/h17-18H,2-16H2,1H3/t17-,18+/m0/s1
• InChIKey: RPHGKFIOPZJSMT-ZWKOTPCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,9aR)-octahydro-1H-quinolizin-1-ylmethyl nonanoate
• IUPAC Traditional name: (1R,9aR)-octahydro-1H-quinolizin-1-ylmethyl nonanoate

Database IDs

• PubChem SID: 164242276
• PubChem CID: 6353617

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4096224
• LogD (pH = 7.4): 2.8479881
• Log P: 4.729593
• Molar Refractivity: 91.6282 cm^3
• Polarizability: 36.56283 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds