5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-ethylimidazole

C14H22N2 — CID 14403471

IUPAC5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-ethylimidazole
SMILESCCn1cncc1/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H22N2/c1-5-16-11-15-10-14(16)9-13(4)8-6-7-12(2)3/h7,9-11H,5-6,8H2,1-4H3/b13-9+
InChIKeyZDFOHTQPIVSBEU-UKTHLTGXSA-N
MW218.34 g/mol
LogP4.05
Rot. Bonds5

About 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-ethylimidazole

5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-ethylimidazole (PubChem CID 14403471) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-ethylimidazole.

Molecular Properties

Compound Name5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-ethylimidazole
PubChem CID14403471
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-ethylimidazole
SMILESCCn1cncc1/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H22N2/c1-5-16-11-15-10-14(16)9-13(4)8-6-7-12(2)3/h7,9-11H,5-6,8H2,1-4H3/b13-9+
InChIKeyZDFOHTQPIVSBEU-UKTHLTGXSA-N
XLogP4.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-ethylimidazole?
The IUPAC name of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-ethylimidazole (CID 14403471) is 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-ethylimidazole.
What is the SMILES notation for 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-ethylimidazole?
The canonical SMILES for 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-ethylimidazole is CCn1cncc1/C=C(\C)CCC=C(C)C.
What is the InChIKey of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-ethylimidazole?
The InChIKey is ZDFOHTQPIVSBEU-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-16-11-15-10-14(16)9-13(4)8-6-7-12(2)3/h7,9-11H,5-6,8H2,1-4H3/b13-9+.
What are the key properties of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-ethylimidazole?
5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-ethylimidazole has a molecular weight of 218.34 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-ethylimidazole is sourced from PubChem (CID 14403471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).