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

C15H24N2 — CID 14403472

IUPAC5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-propylimidazole
SMILESCCCn1cncc1/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24N2/c1-5-9-17-12-16-11-15(17)10-14(4)8-6-7-13(2)3/h7,10-12H,5-6,8-9H2,1-4H3/b14-10+
InChIKeyVLTKZMAJGLJTKF-GXDHUFHOSA-N
MW232.37 g/mol
LogP4.44
Rot. Bonds6

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

5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-propylimidazole (PubChem CID 14403472) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-propylimidazole.

Molecular Properties

Compound Name5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-propylimidazole
PubChem CID14403472
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-propylimidazole
SMILESCCCn1cncc1/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24N2/c1-5-9-17-12-16-11-15(17)10-14(4)8-6-7-13(2)3/h7,10-12H,5-6,8-9H2,1-4H3/b14-10+
InChIKeyVLTKZMAJGLJTKF-GXDHUFHOSA-N
XLogP4.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.44
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-propylimidazole?
The IUPAC name of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-propylimidazole (CID 14403472) is 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-propylimidazole.
What is the SMILES notation for 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-propylimidazole?
The canonical SMILES for 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-propylimidazole is CCCn1cncc1/C=C(\C)CCC=C(C)C.
What is the InChIKey of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-propylimidazole?
The InChIKey is VLTKZMAJGLJTKF-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H24N2/c1-5-9-17-12-16-11-15(17)10-14(4)8-6-7-13(2)3/h7,10-12H,5-6,8-9H2,1-4H3/b14-10+.
What are the key properties of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-propylimidazole?
5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-propylimidazole has a molecular weight of 232.37 g/mol, XLogP of 4.44, 6 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-propylimidazole is sourced from PubChem (CID 14403472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).