1-(diethylamino)heptan-3-one

C11H23NO — CID 21485652

IUPAC1-(diethylamino)heptan-3-one
SMILESCCCCC(=O)CCN(CC)CC
InChIInChI=1S/C11H23NO/c1-4-7-8-11(13)9-10-12(5-2)6-3/h4-10H2,1-3H3
InChIKeyZOSZSUNSUZCSJP-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.48
Rot. Bonds8

About 1-(diethylamino)heptan-3-one

1-(diethylamino)heptan-3-one (PubChem CID 21485652) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(diethylamino)heptan-3-one.

Molecular Properties

Compound Name1-(diethylamino)heptan-3-one
PubChem CID21485652
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(diethylamino)heptan-3-one
SMILESCCCCC(=O)CCN(CC)CC
InChIInChI=1S/C11H23NO/c1-4-7-8-11(13)9-10-12(5-2)6-3/h4-10H2,1-3H3
InChIKeyZOSZSUNSUZCSJP-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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

1-(dimethylamino)heptan-3-one
CID 18322699
1-(diethylamino)-7,7,7-trifluoroheptan-3-one
CID 115515964
1-[2-(2-hydroxyethylamino)ethyl-(3-oxoheptyl)amino]heptan-3-one
CID 58040518
1-[methyl(3-oxooctadecyl)amino]octadecan-3-one
CID 141082877
N,N-diethyl-3-methylideneheptan-1-amine
CID 134980588
1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one
CID 171836778
1-(diethylamino)-6,6,6-trifluorohexan-3-one
CID 79077397
tridecane-4,9-dione
CID 166698782
methanol;octan-4-one
CID 174820687
dodecan-5-one
CID 29771
3-[bis[3-[bis[6-(diethylamino)-3-oxohexyl]amino]propyl]amino]-N-[2-(diethylamino)ethyl]propanamide
CID 165064161
1-(dimethylamino)nonan-3-one
CID 115345762

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)heptan-3-one?
The IUPAC name of 1-(diethylamino)heptan-3-one (CID 21485652) is 1-(diethylamino)heptan-3-one.
What is the SMILES notation for 1-(diethylamino)heptan-3-one?
The canonical SMILES for 1-(diethylamino)heptan-3-one is CCCCC(=O)CCN(CC)CC.
What is the InChIKey of 1-(diethylamino)heptan-3-one?
The InChIKey is ZOSZSUNSUZCSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-7-8-11(13)9-10-12(5-2)6-3/h4-10H2,1-3H3.
What are the key properties of 1-(diethylamino)heptan-3-one?
1-(diethylamino)heptan-3-one has a molecular weight of 185.31 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)heptan-3-one is sourced from PubChem (CID 21485652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).