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

C10H19NO — CID 20513234

IUPAC1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-ol
SMILESCN1CCCC2CC(O)CCC21
InChIInChI=1S/C10H19NO/c1-11-6-2-3-8-7-9(12)4-5-10(8)11/h8-10,12H,2-7H2,1H3
InChIKeyKRWOMPFRRLZBEJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.24
Rot. Bonds

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

1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-ol (PubChem CID 20513234) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-ol.

Molecular Properties

Compound Name1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-ol
PubChem CID20513234
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-ol
SMILESCN1CCCC2CC(O)CCC21
InChIInChI=1S/C10H19NO/c1-11-6-2-3-8-7-9(12)4-5-10(8)11/h8-10,12H,2-7H2,1H3
InChIKeyKRWOMPFRRLZBEJ-UHFFFAOYSA-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 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-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

3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol
CID 81198941
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
6-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonitrile
CID 13084755
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
3,5-dimethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-ol
CID 81198795
(4aS,7S,8aS)-1-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-7-ol
CID 22828499
(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 7188325
(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 640668
(4aS,7aS)-6-bromo-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 89020740
1-methyl-2-(oxan-4-yl)pyrrolidine
CID 76626708

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-ol?
The IUPAC name of 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-ol (CID 20513234) is 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-ol.
What is the SMILES notation for 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-ol?
The canonical SMILES for 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-ol is CN1CCCC2CC(O)CCC21.
What is the InChIKey of 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-ol?
The InChIKey is KRWOMPFRRLZBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-6-2-3-8-7-9(12)4-5-10(8)11/h8-10,12H,2-7H2,1H3.
What are the key properties of 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-ol?
1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-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 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-ol is sourced from PubChem (CID 20513234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).