1-[(3S)-3,9,9-trimethyl-1,2,3,4,4a,9,9a,10-octahydroacridin-10-yl]ethan-1-one

• ChemBase ID: 182279
• Molecular Formular: C18H25NO
• Molecular Mass: 271.3972
• Monoisotopic Mass: 271.19361443
• SMILES: N1(C2C(C(c3c1cccc3)(C)C)CC[C@@H](C2)C)C(=O)C
• Canonical SMILES: C[C@H]1CCC2C(C1)N(C(=O)C)c1c(C2(C)C)cccc1
• InChI: InChI=1S/C18H25NO/c1-12-9-10-15-17(11-12)19(13(2)20)16-8-6-5-7-14(16)18(15,3)4/h5-8,12,15,17H,9-11H2,1-4H3/t12-,15?,17?/m0/s1
• InChIKey: BNLNIDMXFUKQJC-VWDMACCTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3S)-3,9,9-trimethyl-1,2,3,4,4a,9,9a,10-octahydroacridin-10-yl]ethan-1-one
• IUPAC Traditional name: 1-[(3S)-3,9,9-trimethyl-1,2,3,4,4a,9a-hexahydroacridin-10-yl]ethanone

Database IDs

• PubChem SID: 164238189
• PubChem CID: 16395406

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7184777
• LogD (pH = 7.4): 3.7184777
• Log P: 3.7184777
• Molar Refractivity: 81.733 cm^3
• Polarizability: 32.180042 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Derivatives & analogs of Natural Compounds