1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one

C16H29NO — CID 163499514

IUPAC1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one
SMILESCCC1CC(C(=O)C(C)(C)C)C2CCCCN2C1
InChIInChI=1S/C16H29NO/c1-5-12-10-13(15(18)16(2,3)4)14-8-6-7-9-17(14)11-12/h12-14H,5-11H2,1-4H3
InChIKeyXTRJWMOIIYKKOE-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.50
Rot. Bonds2

About 1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one

1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 163499514) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID163499514
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one
SMILESCCC1CC(C(=O)C(C)(C)C)C2CCCCN2C1
InChIInChI=1S/C16H29NO/c1-5-12-10-13(15(18)16(2,3)4)14-8-6-7-9-17(14)11-12/h12-14H,5-11H2,1-4H3
InChIKeyXTRJWMOIIYKKOE-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

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3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
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methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate
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2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79694598
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylcyclohexan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one (CID 163499514) is 1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one is CCC1CC(C(=O)C(C)(C)C)C2CCCCN2C1.
What is the InChIKey of 1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is XTRJWMOIIYKKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-5-12-10-13(15(18)16(2,3)4)14-8-6-7-9-17(14)11-12/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one?
1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 251.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 163499514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).