(2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol

C10H19NO — CID 7078488

IUPAC(2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
SMILESC[C@@H]1C[C@H](O)[C@@H]2CCCC[C@@H]2N1
InChIInChI=1S/C10H19NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7-12H,2-6H2,1H3/t7-,8-,9+,10+/m1/s1
InChIKeyJPJPPIBIZQCWDH-IMSYWVGJSA-N
MW169.27 g/mol
LogP1.29
Rot. Bonds

About (2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol

(2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol (PubChem CID 7078488) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol.

Molecular Properties

Compound Name(2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
PubChem CID7078488
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
SMILESC[C@@H]1C[C@H](O)[C@@H]2CCCC[C@@H]2N1
InChIInChI=1S/C10H19NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7-12H,2-6H2,1H3/t7-,8-,9+,10+/m1/s1
InChIKeyJPJPPIBIZQCWDH-IMSYWVGJSA-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 (2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol with MolForge

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Related Compounds

(2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
CID 130762249
(2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 58997733
2-(5-methylmorpholin-3-yl)cycloheptan-1-ol
CID 116685503
2,2-dimethyl-6-(6-methylpiperidin-2-yl)cyclohexan-1-ol
CID 116685574
(2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide
CID 124823484
(2S,4R,4aS,8aR)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide
CID 124823483
(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
CID 22820323
4-methyl-2-(6-methylpiperidin-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 116685562
(2S,4S,4aS,8aS)-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid
CID 130763500
trans-(1R,2R)-2-[(2R)-pyrrolidin-2-yl]cyclohexan-1-ol
CID 124709746
(2S,3S,4R,6R)-2,3,6-trimethylpiperidin-4-ol
CID 55288510
(1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol
CID 163178155

Frequently Asked Questions

What is the IUPAC name of (2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol?
The IUPAC name of (2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol (CID 7078488) is (2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol.
What is the SMILES notation for (2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol?
The canonical SMILES for (2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol is C[C@@H]1C[C@H](O)[C@@H]2CCCC[C@@H]2N1.
What is the InChIKey of (2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol?
The InChIKey is JPJPPIBIZQCWDH-IMSYWVGJSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7-12H,2-6H2,1H3/t7-,8-,9+,10+/m1/s1.
What are the key properties of (2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol?
(2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-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 (2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol is sourced from PubChem (CID 7078488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).