2-(6-ethyl-2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol

C16H31NO — CID 20543099

IUPAC2-(6-ethyl-2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol
SMILESCCC1CCC2C(C1)C(C)CC(C)(C)N2CCO
InChIInChI=1S/C16H31NO/c1-5-13-6-7-15-14(10-13)12(2)11-16(3,4)17(15)8-9-18/h12-15,18H,5-11H2,1-4H3
InChIKeyOKXYQCGJBLDSFR-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.29
Rot. Bonds3

About 2-(6-ethyl-2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol

2-(6-ethyl-2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol (PubChem CID 20543099) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-(6-ethyl-2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol.

Molecular Properties

Compound Name2-(6-ethyl-2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol
PubChem CID20543099
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-(6-ethyl-2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol
SMILESCCC1CCC2C(C1)C(C)CC(C)(C)N2CCO
InChIInChI=1S/C16H31NO/c1-5-13-6-7-15-14(10-13)12(2)11-16(3,4)17(15)8-9-18/h12-15,18H,5-11H2,1-4H3
InChIKeyOKXYQCGJBLDSFR-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol?
The IUPAC name of 2-(6-ethyl-2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol (CID 20543099) is 2-(6-ethyl-2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol.
What is the SMILES notation for 2-(6-ethyl-2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol?
The canonical SMILES for 2-(6-ethyl-2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol is CCC1CCC2C(C1)C(C)CC(C)(C)N2CCO.
What is the InChIKey of 2-(6-ethyl-2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol?
The InChIKey is OKXYQCGJBLDSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-13-6-7-15-14(10-13)12(2)11-16(3,4)17(15)8-9-18/h12-15,18H,5-11H2,1-4H3.
What are the key properties of 2-(6-ethyl-2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol?
2-(6-ethyl-2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol has a molecular weight of 253.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)ethanol is sourced from PubChem (CID 20543099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).