1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone

C15H27NO — CID 75163093

IUPAC1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone
SMILESCCCC1CCC2C(C)CCCC2N1C(C)=O
InChIInChI=1S/C15H27NO/c1-4-6-13-9-10-14-11(2)7-5-8-15(14)16(13)12(3)17/h11,13-15H,4-10H2,1-3H3
InChIKeyWQELMBZPIHHRRN-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.60
Rot. Bonds2

About 1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone

1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone (PubChem CID 75163093) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone
PubChem CID75163093
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone
SMILESCCCC1CCC2C(C)CCCC2N1C(C)=O
InChIInChI=1S/C15H27NO/c1-4-6-13-9-10-14-11(2)7-5-8-15(14)16(13)12(3)17/h11,13-15H,4-10H2,1-3H3
InChIKeyWQELMBZPIHHRRN-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone
CID 102405794
tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate
CID 10900787
1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 91731891
2-(2-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83061636
dimethyl 6-propylpiperidine-1,2-dicarboxylate
CID 71338696
tert-butyl (2R,5R)-2-(hydroxymethyl)-5-propylpyrrolidine-1-carboxylate
CID 155694850
methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate
CID 10727314
1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate
CID 59679477
dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate
CID 14523837
[(2R,3S,4S,5R,6R)-6-[(2S,4aR,5R,8aR)-5-methyl-4-oxo-2-propyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate
CID 11039808
(2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid
CID 150419156
7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane
CID 58552791

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone (CID 75163093) is 1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone is CCCC1CCC2C(C)CCCC2N1C(C)=O.
What is the InChIKey of 1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone?
The InChIKey is WQELMBZPIHHRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-6-13-9-10-14-11(2)7-5-8-15(14)16(13)12(3)17/h11,13-15H,4-10H2,1-3H3.
What are the key properties of 1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone?
1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone has a molecular weight of 237.39 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 75163093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).