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

C12H23NO — CID 141269093

IUPAC1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-ol
SMILESCCN1C2CCCCC2CCC1(C)O
InChIInChI=1S/C12H23NO/c1-3-13-11-7-5-4-6-10(11)8-9-12(13,2)14/h10-11,14H,3-9H2,1-2H3
InChIKeyWCEVXKOWELVHGB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.37
Rot. Bonds1

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

1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-ol (PubChem CID 141269093) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-ol.

Molecular Properties

Compound Name1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-ol
PubChem CID141269093
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-ol
SMILESCCN1C2CCCCC2CCC1(C)O
InChIInChI=1S/C12H23NO/c1-3-13-11-7-5-4-6-10(11)8-9-12(13,2)14/h10-11,14H,3-9H2,1-2H3
InChIKeyWCEVXKOWELVHGB-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 524515
2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 59649291
1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 21106195
(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane
CID 130709044
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855662
[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine
CID 102725752
5-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79859986
[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine
CID 82746499
[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol
CID 102728346
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79835833
[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]methanol
CID 102728342
1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol
CID 105400820

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-ol?
The IUPAC name of 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-ol (CID 141269093) is 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-ol.
What is the SMILES notation for 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-ol?
The canonical SMILES for 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-ol is CCN1C2CCCCC2CCC1(C)O.
What is the InChIKey of 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-ol?
The InChIKey is WCEVXKOWELVHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-13-11-7-5-4-6-10(11)8-9-12(13,2)14/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-ol?
1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-ol is sourced from PubChem (CID 141269093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).