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

C10H19NO — CID 130792375

IUPAC(4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol
SMILESC[C@@]1(O)CCC[C@@H]2NCCC[C@@H]21
InChIInChI=1S/C10H19NO/c1-10(12)6-2-5-9-8(10)4-3-7-11-9/h8-9,11-12H,2-7H2,1H3/t8-,9-,10+/m0/s1
InChIKeyPOQUFKHJAQJBJL-LPEHRKFASA-N
MW169.27 g/mol
LogP1.29
Rot. Bonds

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

(4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol (PubChem CID 130792375) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol.

Molecular Properties

Compound Name(4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol
PubChem CID130792375
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol
SMILESC[C@@]1(O)CCC[C@@H]2NCCC[C@@H]21
InChIInChI=1S/C10H19NO/c1-10(12)6-2-5-9-8(10)4-3-7-11-9/h8-9,11-12H,2-7H2,1H3/t8-,9-,10+/m0/s1
InChIKeyPOQUFKHJAQJBJL-LPEHRKFASA-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

Analyze (4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol with MolForge

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Related Compounds

1',1',2',2'-tetramethylspiro[2,3,4,4a,6,7,8,8a-octahydro-1H-quinoline-5,3'-cyclopropane]
CID 140941153
2-(2-fluoro-2-methylcyclopentyl)piperidine
CID 131137648
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
(5-phosphono-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[b]pyridin-5-yl)phosphonic acid
CID 15234319
(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 67375196
2,2-dimethyl-6-piperidin-2-ylcyclohexan-1-ol
CID 79853122
7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine
CID 143671086
5-(2-phenylethynyl)-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol
CID 141161058
(1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol
CID 102158288
2-pyrrolidin-2-ylpiperidine
CID 14810994
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
CID 58044710
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535

Frequently Asked Questions

What is the IUPAC name of (4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol?
The IUPAC name of (4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol (CID 130792375) is (4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol.
What is the SMILES notation for (4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol?
The canonical SMILES for (4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol is C[C@@]1(O)CCC[C@@H]2NCCC[C@@H]21.
What is the InChIKey of (4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol?
The InChIKey is POQUFKHJAQJBJL-LPEHRKFASA-N. The full InChI is InChI=1S/C10H19NO/c1-10(12)6-2-5-9-8(10)4-3-7-11-9/h8-9,11-12H,2-7H2,1H3/t8-,9-,10+/m0/s1.
What are the key properties of (4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol?
(4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-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 (4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol is sourced from PubChem (CID 130792375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).