2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol

C11H21NO — CID 20607

IUPAC2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol
SMILESCCN1CCC2C(O)CCCC2C1
InChIInChI=1S/C11H21NO/c1-2-12-7-6-10-9(8-12)4-3-5-11(10)13/h9-11,13H,2-8H2,1H3
InChIKeySIIVDVCPUJLGRR-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.49
Rot. Bonds1

About 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol

2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol (PubChem CID 20607) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol.

Molecular Properties

Compound Name2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol
PubChem CID20607
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol
SMILESCCN1CCC2C(O)CCCC2C1
InChIInChI=1S/C11H21NO/c1-2-12-7-6-10-9(8-12)4-3-5-11(10)13/h9-11,13H,2-8H2,1H3
InChIKeySIIVDVCPUJLGRR-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol with MolForge

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Related Compounds

2-Dodecyl-5,8a-dimethyl-decahydro-isoquinolin-6-ol
CID 10383339
2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1)
CID 20606
5-Isoquinolinol, decahydro-2-ethyl-, cis-
CID 56225
Decahydroisoquinolin-7-ol
CID 117046485
(4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol
CID 102224045
2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol
CID 162397522
2-Methyl-3-(piperidin-1-ylmethyl)-5-(propan-2-yl)cyclohexanol
CID 245748
1,2,9-Trimethyldecahydroquinol-4-ol
CID 602786
(+/-)-8-Hydroxy-1-methyl decahydroquinoline
CID 2802230
2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol
CID 12596831
1-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-ol
CID 13628102
Decahydroisoquinolin-5-ol
CID 20186874

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol?
The IUPAC name of 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol (CID 20607) is 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol.
What is the SMILES notation for 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol?
The canonical SMILES for 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol is CCN1CCC2C(O)CCCC2C1.
What is the InChIKey of 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol?
The InChIKey is SIIVDVCPUJLGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-12-7-6-10-9(8-12)4-3-5-11(10)13/h9-11,13H,2-8H2,1H3.
What are the key properties of 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol?
2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol has a molecular weight of 183.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol is sourced from PubChem (CID 20607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).