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

C10H19NO — CID 2969136

IUPAC1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
SMILESCC1NCCC2(O)CCCCC12
InChIInChI=1S/C10H19NO/c1-8-9-4-2-3-5-10(9,12)6-7-11-8/h8-9,11-12H,2-7H2,1H3
InChIKeyLVDLOGDWSPRQQJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.29
Rot. Bonds

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

1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol (PubChem CID 2969136) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol.

Molecular Properties

Compound Name1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
PubChem CID2969136
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
SMILESCC1NCCC2(O)CCCCC12
InChIInChI=1S/C10H19NO/c1-8-9-4-2-3-5-10(9,12)6-7-11-8/h8-9,11-12H,2-7H2,1H3
InChIKeyLVDLOGDWSPRQQJ-UHFFFAOYSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Decahydroquinolin-4-ol
CID 574559
4-Ethynyl-2-methyl-decahydro-quinolin-4-ol
CID 601253
Decahydroisoquinolin-4a-ol hydrochloride
CID 12927262
4-Cyclohexyl-4-Piperidinol
CID 44598718
rac-(4aR,8aR)-decahydroisoquinolin-4a-ol hydrochloride
CID 2792437
1-((Piperidin-2-yl)methyl)cyclohexan-1-ol
CID 68606633
Decahydroisoquinolin-4a-ol
CID 3136120
cis-Decahydroisoquinolin-4a-ol hydrochloride
CID 122235820
(4aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride
CID 169544345
Quinoline, trans-decahydro-4-hydroxy-2-methyl-
CID 130882666
2-Methyl-4-butyldecahydro-4-quinolinol
CID 597872
4-Quinolinol, decahydro-2-methyl-
CID 3704136

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
The IUPAC name of 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol (CID 2969136) is 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol.
What is the SMILES notation for 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
The canonical SMILES for 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol is CC1NCCC2(O)CCCCC12.
What is the InChIKey of 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
The InChIKey is LVDLOGDWSPRQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-9-4-2-3-5-10(9,12)6-7-11-8/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol has a molecular weight of 169.27 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol is sourced from PubChem (CID 2969136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).