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

C11H20N4O — CID 62349918

IUPAC2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanamide
SMILESCc1ncn(CCCC(C)(N)C(N)=O)c1C
InChIInChI=1S/C11H20N4O/c1-8-9(2)15(7-14-8)6-4-5-11(3,13)10(12)16/h7H,4-6,13H2,1-3H3,(H2,12,16)
InChIKeyWAAGFNRRLHPUHZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.48
Rot. Bonds5

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

2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanamide (PubChem CID 62349918) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanamide
PubChem CID62349918
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanamide
SMILESCc1ncn(CCCC(C)(N)C(N)=O)c1C
InChIInChI=1S/C11H20N4O/c1-8-9(2)15(7-14-8)6-4-5-11(3,13)10(12)16/h7H,4-6,13H2,1-3H3,(H2,12,16)
InChIKeyWAAGFNRRLHPUHZ-UHFFFAOYSA-N
XLogP0.48
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanamide?
The IUPAC name of 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanamide (CID 62349918) is 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanamide?
The canonical SMILES for 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanamide is Cc1ncn(CCCC(C)(N)C(N)=O)c1C.
What is the InChIKey of 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanamide?
The InChIKey is WAAGFNRRLHPUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-9(2)15(7-14-8)6-4-5-11(3,13)10(12)16/h7H,4-6,13H2,1-3H3,(H2,12,16).
What are the key properties of 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanamide?
2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanamide has a molecular weight of 224.31 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanamide is sourced from PubChem (CID 62349918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).