4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one

C13H23N3O — CID 79745031

IUPAC4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one
SMILESCCN(CC)CCC(=O)Cc1nccn1CC
InChIInChI=1S/C13H23N3O/c1-4-15(5-2)9-7-12(17)11-13-14-8-10-16(13)6-3/h8,10H,4-7,9,11H2,1-3H3
InChIKeyQBSZSGCCFQKVDQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.75
Rot. Bonds8

About 4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one

4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one (PubChem CID 79745031) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one
PubChem CID79745031
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one
SMILESCCN(CC)CCC(=O)Cc1nccn1CC
InChIInChI=1S/C13H23N3O/c1-4-15(5-2)9-7-12(17)11-13-14-8-10-16(13)6-3/h8,10H,4-7,9,11H2,1-3H3
InChIKeyQBSZSGCCFQKVDQ-UHFFFAOYSA-N
XLogP1.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-one
CID 79743912
4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one
CID 115345722
1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-one
CID 79744818
1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one
CID 116590833
2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid
CID 62737156
1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one
CID 79743810
1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588500
1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one
CID 116563565
1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
CID 115783502
1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558888
4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one
CID 116552958
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(diethylamino)butan-2-one
CID 79077087

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one?
The IUPAC name of 4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one (CID 79745031) is 4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one.
What is the SMILES notation for 4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one?
The canonical SMILES for 4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one is CCN(CC)CCC(=O)Cc1nccn1CC.
What is the InChIKey of 4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one?
The InChIKey is QBSZSGCCFQKVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-15(5-2)9-7-12(17)11-13-14-8-10-16(13)6-3/h8,10H,4-7,9,11H2,1-3H3.
What are the key properties of 4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one?
4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one is sourced from PubChem (CID 79745031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).