5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide

C13H24N4O — CID 55064787

IUPAC5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide
SMILESCCNC(C)(CCCn1cnc(C)c1C)C(N)=O
InChIInChI=1S/C13H24N4O/c1-5-16-13(4,12(14)18)7-6-8-17-9-15-10(2)11(17)3/h9,16H,5-8H2,1-4H3,(H2,14,18)
InChIKeyJLJLMRWOABNBNA-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.13
Rot. Bonds7

About 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide

5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide (PubChem CID 55064787) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide.

Molecular Properties

Compound Name5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide
PubChem CID55064787
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide
SMILESCCNC(C)(CCCn1cnc(C)c1C)C(N)=O
InChIInChI=1S/C13H24N4O/c1-5-16-13(4,12(14)18)7-6-8-17-9-15-10(2)11(17)3/h9,16H,5-8H2,1-4H3,(H2,14,18)
InChIKeyJLJLMRWOABNBNA-UHFFFAOYSA-N
XLogP1.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide?
The IUPAC name of 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide (CID 55064787) is 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide.
What is the SMILES notation for 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide?
The canonical SMILES for 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide is CCNC(C)(CCCn1cnc(C)c1C)C(N)=O.
What is the InChIKey of 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide?
The InChIKey is JLJLMRWOABNBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-16-13(4,12(14)18)7-6-8-17-9-15-10(2)11(17)3/h9,16H,5-8H2,1-4H3,(H2,14,18).
What are the key properties of 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide?
5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide has a molecular weight of 252.36 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide is sourced from PubChem (CID 55064787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).