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

C12H23NO — CID 597809

IUPAC4-ethyl-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
SMILESCCC1(O)CCN(C)C2CCCCC21
InChIInChI=1S/C12H23NO/c1-3-12(14)8-9-13(2)11-7-5-4-6-10(11)12/h10-11,14H,3-9H2,1-2H3
InChIKeyIRKJQSTYOJWFMW-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds1

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

4-ethyl-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol (PubChem CID 597809) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-ethyl-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol.

Molecular Properties

Compound Name4-ethyl-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
PubChem CID597809
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-ethyl-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
SMILESCCC1(O)CCN(C)C2CCCCC21
InChIInChI=1S/C12H23NO/c1-3-12(14)8-9-13(2)11-7-5-4-6-10(11)12/h10-11,14H,3-9H2,1-2H3
InChIKeyIRKJQSTYOJWFMW-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
The IUPAC name of 4-ethyl-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol (CID 597809) is 4-ethyl-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol.
What is the SMILES notation for 4-ethyl-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
The canonical SMILES for 4-ethyl-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol is CCC1(O)CCN(C)C2CCCCC21.
What is the InChIKey of 4-ethyl-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
The InChIKey is IRKJQSTYOJWFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-12(14)8-9-13(2)11-7-5-4-6-10(11)12/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 4-ethyl-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
4-ethyl-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol is sourced from PubChem (CID 597809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).