(4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol

C10H19NO — CID 102224045

IUPAC(4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol
SMILESCN1CC[C@H]2CCCC[C@]2(O)C1
InChIInChI=1S/C10H19NO/c1-11-7-5-9-4-2-3-6-10(9,12)8-11/h9,12H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyQJRSAWAGPYPWTH-ZJUUUORDSA-N
MW169.27 g/mol
LogP1.24
Rot. Bonds

About (4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol

(4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol (PubChem CID 102224045) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol.

Molecular Properties

Compound Name(4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol
PubChem CID102224045
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol
SMILESCN1CC[C@H]2CCCC[C@]2(O)C1
InChIInChI=1S/C10H19NO/c1-11-7-5-9-4-2-3-6-10(9,12)8-11/h9,12H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyQJRSAWAGPYPWTH-ZJUUUORDSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol with MolForge

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

Launch Full Analysis

Related Compounds

5-Isoquinolinol, decahydro-2-ethyl-, cis-
CID 56225
2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol
CID 20607
(Ethyl)-trans-decahydroquinolin-4a-ol
CID 129778797
2-(3-Fluoropropyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81114871
2-(2-Fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81114882
2-(2,2-Difluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81114980
2-(3,3,3-Trifluoropropyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115430
2-(2,2,2-Trifluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 114286627
2-(4,4,4-Trifluorobutyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 115518117
1-Methyloctahydro-4a(2H)-quinolinol
CID 535973
rac-(4aR,8aR)-decahydroisoquinolin-8a-ol
CID 10630741
2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol
CID 12596831

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol?
The IUPAC name of (4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol (CID 102224045) is (4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol.
What is the SMILES notation for (4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol?
The canonical SMILES for (4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol is CN1CC[C@H]2CCCC[C@]2(O)C1.
What is the InChIKey of (4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol?
The InChIKey is QJRSAWAGPYPWTH-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-7-5-9-4-2-3-6-10(9,12)8-11/h9,12H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of (4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol?
(4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol has a molecular weight of 169.27 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-2-methyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-ol is sourced from PubChem (CID 102224045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).