4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one

C11H19N3O — CID 116571399

IUPAC4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
SMILESCCn1ccnc1C(=O)CCC(C)(C)N
InChIInChI=1S/C11H19N3O/c1-4-14-8-7-13-10(14)9(15)5-6-11(2,3)12/h7-8H,4-6,12H2,1-3H3
InChIKeyDAXNDBRGLNSXNT-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.60
Rot. Bonds5

About 4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one

4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one (PubChem CID 116571399) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
PubChem CID116571399
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
SMILESCCn1ccnc1C(=O)CCC(C)(C)N
InChIInChI=1S/C11H19N3O/c1-4-14-8-7-13-10(14)9(15)5-6-11(2,3)12/h7-8H,4-6,12H2,1-3H3
InChIKeyDAXNDBRGLNSXNT-UHFFFAOYSA-N
XLogP1.60
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163
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-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one
CID 103023250
3-amino-1-(1-ethylimidazol-2-yl)-5,5-dimethylhexan-1-one
CID 116614691
1-(1-ethylimidazol-2-yl)-3,5,5-trimethylhexan-1-one
CID 114973012
1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446629
1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
CID 116610931
1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606043
5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116571370
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one?
The IUPAC name of 4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one (CID 116571399) is 4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one.
What is the SMILES notation for 4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one?
The canonical SMILES for 4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one is CCn1ccnc1C(=O)CCC(C)(C)N.
What is the InChIKey of 4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one?
The InChIKey is DAXNDBRGLNSXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-14-8-7-13-10(14)9(15)5-6-11(2,3)12/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one?
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one is sourced from PubChem (CID 116571399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).