6-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylhexanamide

C14H26N4O — CID 62351304

IUPAC6-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylhexanamide
SMILESCCNC(C)(CCCCn1cnc(C)c1C)C(N)=O
InChIInChI=1S/C14H26N4O/c1-5-17-14(4,13(15)19)8-6-7-9-18-10-16-11(2)12(18)3/h10,17H,5-9H2,1-4H3,(H2,15,19)
InChIKeyCZFYDAIXFXEYID-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.52
Rot. Bonds8

About 6-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylhexanamide

6-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylhexanamide (PubChem CID 62351304) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 6-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylhexanamide.

Molecular Properties

Compound Name6-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylhexanamide
PubChem CID62351304
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name6-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylhexanamide
SMILESCCNC(C)(CCCCn1cnc(C)c1C)C(N)=O
InChIInChI=1S/C14H26N4O/c1-5-17-14(4,13(15)19)8-6-7-9-18-10-16-11(2)12(18)3/h10,17H,5-9H2,1-4H3,(H2,15,19)
InChIKeyCZFYDAIXFXEYID-UHFFFAOYSA-N
XLogP1.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.52
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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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylhexanamide?
The IUPAC name of 6-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylhexanamide (CID 62351304) is 6-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylhexanamide.
What is the SMILES notation for 6-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylhexanamide?
The canonical SMILES for 6-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylhexanamide is CCNC(C)(CCCCn1cnc(C)c1C)C(N)=O.
What is the InChIKey of 6-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylhexanamide?
The InChIKey is CZFYDAIXFXEYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-17-14(4,13(15)19)8-6-7-9-18-10-16-11(2)12(18)3/h10,17H,5-9H2,1-4H3,(H2,15,19).
What are the key properties of 6-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylhexanamide?
6-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylhexanamide has a molecular weight of 266.39 g/mol, XLogP of 1.52, 8 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-(ethylamino)-2-methylhexanamide is sourced from PubChem (CID 62351304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).