[(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol

C12H23NO — CID 25268241

IUPAC[(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol
SMILESCC[C@]12CCCN[C@H]1[C@H](CO)CCC2
InChIInChI=1S/C12H23NO/c1-2-12-6-3-5-10(9-14)11(12)13-8-4-7-12/h10-11,13-14H,2-9H2,1H3/t10-,11-,12-/m0/s1
InChIKeyROYPXVQYWSMENP-SRVKXCTJSA-N
MW197.32 g/mol
LogP1.93
Rot. Bonds2

About [(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol

[(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol (PubChem CID 25268241) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol.

Molecular Properties

Compound Name[(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol
PubChem CID25268241
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol
SMILESCC[C@]12CCCN[C@H]1[C@H](CO)CCC2
InChIInChI=1S/C12H23NO/c1-2-12-6-3-5-10(9-14)11(12)13-8-4-7-12/h10-11,13-14H,2-9H2,1H3/t10-,11-,12-/m0/s1
InChIKeyROYPXVQYWSMENP-SRVKXCTJSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol with MolForge

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Related Compounds

(2-methylpiperidin-3-yl)methanol
CID 19019552
(4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine
CID 177422774
[(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol
CID 124667692
3-cyclopropyl-3-ethylpiperidine
CID 64919354
4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 165153694
[(1R,2R)-2-ethylcyclohexyl]methanol
CID 58154483
1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol
CID 142267909
[(2R,3R)-2-ethylpyrrolidin-3-yl]methanol
CID 124705557
2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol
CID 24767757
(5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol
CID 57356126
2,3-dipropylpiperidine;ethane
CID 168977682
(1S,4aR,8aR)-1-(hydroxymethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 10607560

Frequently Asked Questions

What is the IUPAC name of [(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol?
The IUPAC name of [(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol (CID 25268241) is [(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol.
What is the SMILES notation for [(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol?
The canonical SMILES for [(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol is CC[C@]12CCCN[C@H]1[C@H](CO)CCC2.
What is the InChIKey of [(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol?
The InChIKey is ROYPXVQYWSMENP-SRVKXCTJSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-12-6-3-5-10(9-14)11(12)13-8-4-7-12/h10-11,13-14H,2-9H2,1H3/t10-,11-,12-/m0/s1.
What are the key properties of [(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol?
[(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol has a molecular weight of 197.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol is sourced from PubChem (CID 25268241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).