1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one

C9H15N3O — CID 116561163

IUPAC1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
SMILESCCn1ccnc1C(=O)CCNC
InChIInChI=1S/C9H15N3O/c1-3-12-7-6-11-9(12)8(13)4-5-10-2/h6-7,10H,3-5H2,1-2H3
InChIKeyREAQZVGWOZFSOV-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.70
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one

1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one (PubChem CID 116561163) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
PubChem CID116561163
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
SMILESCCn1ccnc1C(=O)CCNC
InChIInChI=1S/C9H15N3O/c1-3-12-7-6-11-9(12)8(13)4-5-10-2/h6-7,10H,3-5H2,1-2H3
InChIKeyREAQZVGWOZFSOV-UHFFFAOYSA-N
XLogP0.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
CID 114973036
5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116607603
1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
1-(1-propylimidazol-2-yl)heptan-1-one
CID 114972716
1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
CID 63975424
4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one
CID 106677480
2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone
CID 63975634
1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one
CID 103023250
1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606043
1-(1-ethylimidazol-2-yl)prop-2-en-1-one
CID 103453576

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one (CID 116561163) is 1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one is CCn1ccnc1C(=O)CCNC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one?
The InChIKey is REAQZVGWOZFSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-12-7-6-11-9(12)8(13)4-5-10-2/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one?
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one has a molecular weight of 181.24 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one is sourced from PubChem (CID 116561163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).