3-(dimethylamino)-3-ethylheptan-4-one

C11H23NO — CID 79060818

IUPAC3-(dimethylamino)-3-ethylheptan-4-one
SMILESCCCC(=O)C(CC)(CC)N(C)C
InChIInChI=1S/C11H23NO/c1-6-9-10(13)11(7-2,8-3)12(4)5/h6-9H2,1-5H3
InChIKeyZDUGUSOQRAJIES-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.48
Rot. Bonds6

About 3-(dimethylamino)-3-ethylheptan-4-one

3-(dimethylamino)-3-ethylheptan-4-one (PubChem CID 79060818) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(dimethylamino)-3-ethylheptan-4-one.

Molecular Properties

Compound Name3-(dimethylamino)-3-ethylheptan-4-one
PubChem CID79060818
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(dimethylamino)-3-ethylheptan-4-one
SMILESCCCC(=O)C(CC)(CC)N(C)C
InChIInChI=1S/C11H23NO/c1-6-9-10(13)11(7-2,8-3)12(4)5/h6-9H2,1-5H3
InChIKeyZDUGUSOQRAJIES-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(dimethylamino)-5-ethylhept-1-yn-4-one
CID 79062324
3-(dimethylamino)-4-oxoheptane-3-sulfonic acid
CID 126688819
1,1,1-trichloropentan-2-one
CID 87815684
3,3-diethylheptane-2,4-dione
CID 174496299
5,5-bis(hydroxymethyl)nonane-4,6-dione
CID 141214701
1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-ethylpentan-2-one
CID 79558871
methyl 2,2-diethyl-3-oxohexanoate
CID 79554520
5,5-dichlorooctan-4-one
CID 10987199
1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
CID 79061427
bis(2-butanoyl-2-methylpropanedioate);titanium(4+)
CID 175928304
(3S)-3-hydroxy-3-methylheptane-2,4-dione
CID 131227261
CID 87208956
CID 87208956

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-ethylheptan-4-one?
The IUPAC name of 3-(dimethylamino)-3-ethylheptan-4-one (CID 79060818) is 3-(dimethylamino)-3-ethylheptan-4-one.
What is the SMILES notation for 3-(dimethylamino)-3-ethylheptan-4-one?
The canonical SMILES for 3-(dimethylamino)-3-ethylheptan-4-one is CCCC(=O)C(CC)(CC)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-ethylheptan-4-one?
The InChIKey is ZDUGUSOQRAJIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-9-10(13)11(7-2,8-3)12(4)5/h6-9H2,1-5H3.
What are the key properties of 3-(dimethylamino)-3-ethylheptan-4-one?
3-(dimethylamino)-3-ethylheptan-4-one has a molecular weight of 185.31 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-ethylheptan-4-one is sourced from PubChem (CID 79060818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).