1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol

C12H23NO — CID 602786

IUPAC1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol
SMILESCC1CC(O)C2CCCCC2(C)N1C
InChIInChI=1S/C12H23NO/c1-9-8-11(14)10-6-4-5-7-12(10,2)13(9)3/h9-11,14H,4-8H2,1-3H3
InChIKeyGACDXECMLYJONU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds

About 1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol

1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol (PubChem CID 602786) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol.

Molecular Properties

Compound Name1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol
PubChem CID602786
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol
SMILESCC1CC(O)C2CCCCC2(C)N1C
InChIInChI=1S/C12H23NO/c1-9-8-11(14)10-6-4-5-7-12(10,2)13(9)3/h9-11,14H,4-8H2,1-3H3
InChIKeyGACDXECMLYJONU-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol with MolForge

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Related Compounds

1,4-Dimethyldecahydroquinolin-4-ol
CID 4038309
5-Isoquinolinol, decahydro-2-ethyl-, cis-
CID 56225
4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2alpha,4beta,4aalpha,8abeta)-
CID 140686
(1R,2S,3S,5S,9R)-2-ethyl-1-methyl-13-azatricyclo[7.3.1.05,13]tridecan-3-ol
CID 12314466
Plumerinine
CID 14583329
1-Methyl-trans-decahydroquinol-4(axial)-ol
CID 581136
Quinoline, trans-decahydro-4-hydroxy-2-methyl-
CID 130882666
1,2-Dimethyl-4-butyldecahydro-4-quinolol
CID 602872
4-Ethyl-1,2,7-trimethyl-trans-decahydroquinol-4-ol
CID 610792
4-Quinolinol, decahydro-2-methyl-
CID 3704136
1,4-Diethyl-2-methyldecahydro-4-quinolinol
CID 142277
2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol
CID 20607

Frequently Asked Questions

What is the IUPAC name of 1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol?
The IUPAC name of 1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol (CID 602786) is 1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol.
What is the SMILES notation for 1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol?
The canonical SMILES for 1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol is CC1CC(O)C2CCCCC2(C)N1C.
What is the InChIKey of 1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol?
The InChIKey is GACDXECMLYJONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-8-11(14)10-6-4-5-7-12(10,2)13(9)3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol?
1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-ol is sourced from PubChem (CID 602786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).