2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol

C11H21NO — CID 13113078

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol
SMILESOCCN1CCCC2CCCCC21
InChIInChI=1S/C11H21NO/c13-9-8-12-7-3-5-10-4-1-2-6-11(10)12/h10-11,13H,1-9H2
InChIKeyQZJYTGZMRMJLJG-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.63
Rot. Bonds2

About 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol (PubChem CID 13113078) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol
PubChem CID13113078
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol
SMILESOCCN1CCCC2CCCCC21
InChIInChI=1S/C11H21NO/c13-9-8-12-7-3-5-10-4-1-2-6-11(10)12/h10-11,13H,1-9H2
InChIKeyQZJYTGZMRMJLJG-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol (CID 13113078) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol is OCCN1CCCC2CCCCC21.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol?
The InChIKey is QZJYTGZMRMJLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c13-9-8-12-7-3-5-10-4-1-2-6-11(10)12/h10-11,13H,1-9H2.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol has a molecular weight of 183.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol is sourced from PubChem (CID 13113078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).