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

C11H21NO — CID 4038309

IUPAC1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
SMILESCN1CCC(C)(O)C2CCCCC21
InChIInChI=1S/C11H21NO/c1-11(13)7-8-12(2)10-6-4-3-5-9(10)11/h9-10,13H,3-8H2,1-2H3
InChIKeyOFUROGGOSSXCBF-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.63
Rot. Bonds

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

1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol (PubChem CID 4038309) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol.

Molecular Properties

Compound Name1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
PubChem CID4038309
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
SMILESCN1CCC(C)(O)C2CCCCC21
InChIInChI=1S/C11H21NO/c1-11(13)7-8-12(2)10-6-4-3-5-9(10)11/h9-10,13H,3-8H2,1-2H3
InChIKeyOFUROGGOSSXCBF-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
The IUPAC name of 1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol (CID 4038309) is 1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol.
What is the SMILES notation for 1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
The canonical SMILES for 1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol is CN1CCC(C)(O)C2CCCCC21.
What is the InChIKey of 1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
The InChIKey is OFUROGGOSSXCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(13)7-8-12(2)10-6-4-3-5-9(10)11/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol has a molecular weight of 183.29 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol is sourced from PubChem (CID 4038309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).