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

C11H19N3O — CID 116607603

IUPAC5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
SMILESCCn1ccnc1C(=O)CCC(C)CN
InChIInChI=1S/C11H19N3O/c1-3-14-7-6-13-11(14)10(15)5-4-9(2)8-12/h6-7,9H,3-5,8,12H2,1-2H3
InChIKeyGLJFRWQRPVFWSL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.46
Rot. Bonds6

About 5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one

5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one (PubChem CID 116607603) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
PubChem CID116607603
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
SMILESCCn1ccnc1C(=O)CCC(C)CN
InChIInChI=1S/C11H19N3O/c1-3-14-7-6-13-11(14)10(15)5-4-9(2)8-12/h6-7,9H,3-5,8,12H2,1-2H3
InChIKeyGLJFRWQRPVFWSL-UHFFFAOYSA-N
XLogP1.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.46
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
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163
2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one
CID 116574576
1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one
CID 105101248
1-(1-ethylimidazol-2-yl)-3,5,5-trimethylhexan-1-one
CID 114973012
3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
CID 114973036
3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one
CID 116612792
1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
3-amino-1-(1-ethylimidazol-2-yl)-5,5-dimethylhexan-1-one
CID 116614691
2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone
CID 116599518
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
CID 63975424

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one?
The IUPAC name of 5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one (CID 116607603) is 5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one is CCn1ccnc1C(=O)CCC(C)CN.
What is the InChIKey of 5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one?
The InChIKey is GLJFRWQRPVFWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-14-7-6-13-11(14)10(15)5-4-9(2)8-12/h6-7,9H,3-5,8,12H2,1-2H3.
What are the key properties of 5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one?
5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one is sourced from PubChem (CID 116607603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).