1-(dimethylamino)-4-ethylhexan-3-one

C10H21NO — CID 115345730

IUPAC1-(dimethylamino)-4-ethylhexan-3-one
SMILESCCC(CC)C(=O)CCN(C)C
InChIInChI=1S/C10H21NO/c1-5-9(6-2)10(12)7-8-11(3)4/h9H,5-8H2,1-4H3
InChIKeyMDEOELHLUFQANR-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds6

About 1-(dimethylamino)-4-ethylhexan-3-one

1-(dimethylamino)-4-ethylhexan-3-one (PubChem CID 115345730) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(dimethylamino)-4-ethylhexan-3-one.

Molecular Properties

Compound Name1-(dimethylamino)-4-ethylhexan-3-one
PubChem CID115345730
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(dimethylamino)-4-ethylhexan-3-one
SMILESCCC(CC)C(=O)CCN(C)C
InChIInChI=1S/C10H21NO/c1-5-9(6-2)10(12)7-8-11(3)4/h9H,5-8H2,1-4H3
InChIKeyMDEOELHLUFQANR-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one
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N-ethyl-2-(hydroxymethyl)-N-methylbutanamide
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2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide
CID 115186413
4-ethyl-1-propoxyhexan-3-one
CID 105117422
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
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(4R,5S,6R,7R)-1-(dimethylamino)-4,5,6,7,8-pentahydroxyoctan-3-one
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1-(dimethylamino)heptan-3-one
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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4-ethylhexan-3-one?
The IUPAC name of 1-(dimethylamino)-4-ethylhexan-3-one (CID 115345730) is 1-(dimethylamino)-4-ethylhexan-3-one.
What is the SMILES notation for 1-(dimethylamino)-4-ethylhexan-3-one?
The canonical SMILES for 1-(dimethylamino)-4-ethylhexan-3-one is CCC(CC)C(=O)CCN(C)C.
What is the InChIKey of 1-(dimethylamino)-4-ethylhexan-3-one?
The InChIKey is MDEOELHLUFQANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-9(6-2)10(12)7-8-11(3)4/h9H,5-8H2,1-4H3.
What are the key properties of 1-(dimethylamino)-4-ethylhexan-3-one?
1-(dimethylamino)-4-ethylhexan-3-one has a molecular weight of 171.28 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4-ethylhexan-3-one is sourced from PubChem (CID 115345730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).