2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)ethanol

C11H21NO — CID 586743

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)ethanol
SMILESOCCC1CC2CCCCC2CN1
InChIInChI=1S/C11H21NO/c13-6-5-11-7-9-3-1-2-4-10(9)8-12-11/h9-13H,1-8H2
InChIKeyUDXYIJULWYHBPJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.54
Rot. Bonds2

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

2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)ethanol (PubChem CID 586743) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)ethanol
PubChem CID586743
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)ethanol
SMILESOCCC1CC2CCCCC2CN1
InChIInChI=1S/C11H21NO/c13-6-5-11-7-9-3-1-2-4-10(9)8-12-11/h9-13H,1-8H2
InChIKeyUDXYIJULWYHBPJ-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Decahydroquinolin-4-ol
CID 574559
1-Methyl-octahydro-isoquinolin-4a-ol
CID 2969136
Decahydroquinolin-6-ol
CID 283197
Decahydroisoquinolin-6-ol
CID 12262842
Decahydroisoquinolin-7-ol
CID 117046485
rac-((4aR,8aR)-decahydroquinolin-4a-yl)methanol
CID 124667695
Decahydro-quinolin-4-ol hydrochloride
CID 2831823
Quinoline, trans-decahydro-4-hydroxy-2-methyl-
CID 130882666
2-Methyl-4-butyldecahydro-4-quinolinol
CID 597872
4-Quinolinol, decahydro-2-methyl-
CID 3704136
Decahydro-2,2,4-trimethyl-6-quinolinol
CID 13794821
Decahydroquinolol
CID 20204641

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)ethanol?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)ethanol (CID 586743) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)ethanol.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)ethanol?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)ethanol is OCCC1CC2CCCCC2CN1.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)ethanol?
The InChIKey is UDXYIJULWYHBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c13-6-5-11-7-9-3-1-2-4-10(9)8-12-11/h9-13H,1-8H2.
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)ethanol?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)ethanol has a molecular weight of 183.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)ethanol is sourced from PubChem (CID 586743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).