(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol

C11H21NO — CID 83915124

IUPAC(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol
SMILESCC1CCC2NCCC(CO)C2C1
InChIInChI=1S/C11H21NO/c1-8-2-3-11-10(6-8)9(7-13)4-5-12-11/h8-13H,2-7H2,1H3
InChIKeyZMAIEXYTKQPWPL-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.39
Rot. Bonds1

About (6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol

(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol (PubChem CID 83915124) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol.

Molecular Properties

Compound Name(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol
PubChem CID83915124
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol
SMILESCC1CCC2NCCC(CO)C2C1
InChIInChI=1S/C11H21NO/c1-8-2-3-11-10(6-8)9(7-13)4-5-12-11/h8-13H,2-7H2,1H3
InChIKeyZMAIEXYTKQPWPL-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 70336035
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CID 129360669
[(2R,4S)-4-methylpiperidin-2-yl]methanol
CID 68711333
[(2R,4R)-4-methylpiperidin-2-yl]methanol
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(1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol
CID 97049022
(4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 102173535
[(2R,3R)-2-ethylpyrrolidin-3-yl]methanol
CID 124705557
1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 140985387
[(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol
CID 146204600
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 14166067
4-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 171521770
6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride
CID 155858923

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol?
The IUPAC name of (6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol (CID 83915124) is (6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol.
What is the SMILES notation for (6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol?
The canonical SMILES for (6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol is CC1CCC2NCCC(CO)C2C1.
What is the InChIKey of (6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol?
The InChIKey is ZMAIEXYTKQPWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-2-3-11-10(6-8)9(7-13)4-5-12-11/h8-13H,2-7H2,1H3.
What are the key properties of (6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol?
(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol has a molecular weight of 183.29 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol is sourced from PubChem (CID 83915124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).