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

C10H20ClNO — CID 2969135

IUPAC1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride
SMILESCC1NCCC2(O)CCCCC12.Cl
InChIInChI=1S/C10H19NO.ClH/c1-8-9-4-2-3-5-10(9,12)6-7-11-8;/h8-9,11-12H,2-7H2,1H3;1H
InChIKeyYYUWAVUMJSHUDP-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.71
Rot. Bonds

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

1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride (PubChem CID 2969135) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride.

Molecular Properties

Compound Name1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride
PubChem CID2969135
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride
SMILESCC1NCCC2(O)CCCCC12.Cl
InChIInChI=1S/C10H19NO.ClH/c1-8-9-4-2-3-5-10(9,12)6-7-11-8;/h8-9,11-12H,2-7H2,1H3;1H
InChIKeyYYUWAVUMJSHUDP-UHFFFAOYSA-N
XLogP1.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride?
The IUPAC name of 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride (CID 2969135) is 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride.
What is the SMILES notation for 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride?
The canonical SMILES for 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride is CC1NCCC2(O)CCCCC12.Cl.
What is the InChIKey of 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride?
The InChIKey is YYUWAVUMJSHUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c1-8-9-4-2-3-5-10(9,12)6-7-11-8;/h8-9,11-12H,2-7H2,1H3;1H.
What are the key properties of 1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride?
1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 1.71, 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;hydrochloride is sourced from PubChem (CID 2969135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).