2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one

C12H21N3O — CID 79052166

IUPAC2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
SMILESCCn1ccnc1C(=O)C(C)(CC)N(C)C
InChIInChI=1S/C12H21N3O/c1-6-12(3,14(4)5)10(16)11-13-8-9-15(11)7-2/h8-9H,6-7H2,1-5H3
InChIKeyODKXNSKEYASHBI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.82
Rot. Bonds5

About 2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one

2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one (PubChem CID 79052166) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
PubChem CID79052166
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
SMILESCCn1ccnc1C(=O)C(C)(CC)N(C)C
InChIInChI=1S/C12H21N3O/c1-6-12(3,14(4)5)10(16)11-13-8-9-15(11)7-2/h8-9H,6-7H2,1-5H3
InChIKeyODKXNSKEYASHBI-UHFFFAOYSA-N
XLogP1.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446629
2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
CID 116610931
2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one
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1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one
CID 63975640
1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one
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2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one
CID 103023250
1-(1-ethylimidazol-2-yl)prop-2-en-1-one
CID 103453576
1-(1-ethylimidazol-2-yl)-3,5,5-trimethylhexan-1-one
CID 114973012
2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid
CID 62818569
2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-ol
CID 79063348

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one (CID 79052166) is 2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one is CCn1ccnc1C(=O)C(C)(CC)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one?
The InChIKey is ODKXNSKEYASHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-6-12(3,14(4)5)10(16)11-13-8-9-15(11)7-2/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one?
2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one has a molecular weight of 223.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one is sourced from PubChem (CID 79052166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).