6-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)hexanamide

C15H28N4O — CID 62351130

IUPAC6-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)hexanamide
SMILESCCCNC(C)(CCCCn1cnc(C)c1C)C(N)=O
InChIInChI=1S/C15H28N4O/c1-5-9-18-15(4,14(16)20)8-6-7-10-19-11-17-12(2)13(19)3/h11,18H,5-10H2,1-4H3,(H2,16,20)
InChIKeyPXPQOXGLTKYEBG-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.91
Rot. Bonds9

About 6-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)hexanamide

6-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)hexanamide (PubChem CID 62351130) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 6-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)hexanamide.

Molecular Properties

Compound Name6-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)hexanamide
PubChem CID62351130
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name6-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)hexanamide
SMILESCCCNC(C)(CCCCn1cnc(C)c1C)C(N)=O
InChIInChI=1S/C15H28N4O/c1-5-9-18-15(4,14(16)20)8-6-7-10-19-11-17-12(2)13(19)3/h11,18H,5-10H2,1-4H3,(H2,16,20)
InChIKeyPXPQOXGLTKYEBG-UHFFFAOYSA-N
XLogP1.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 100066644
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CID 129609068
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CID 21224503
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CID 53688803
CID 53688803
CID 53776483
CID 53776483
CID 54003789
CID 54003789
CID 54264805
CID 54264805
CID 54264831
CID 54264831
CID 54289720
CID 54289720
CID 54301914
CID 54301914
CID 54393887
CID 54393887
CID 57255261
CID 57255261

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)hexanamide?
The IUPAC name of 6-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)hexanamide (CID 62351130) is 6-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)hexanamide.
What is the SMILES notation for 6-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)hexanamide?
The canonical SMILES for 6-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)hexanamide is CCCNC(C)(CCCCn1cnc(C)c1C)C(N)=O.
What is the InChIKey of 6-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)hexanamide?
The InChIKey is PXPQOXGLTKYEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-9-18-15(4,14(16)20)8-6-7-10-19-11-17-12(2)13(19)3/h11,18H,5-10H2,1-4H3,(H2,16,20).
What are the key properties of 6-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)hexanamide?
6-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)hexanamide has a molecular weight of 280.42 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)hexanamide is sourced from PubChem (CID 62351130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).