1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole

C15H26N2 — CID 170367046

IUPAC1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole
SMILESCCC(CC=C(C)C)(n1ccnc1)C(C)(C)C
InChIInChI=1S/C15H26N2/c1-7-15(14(4,5)6,9-8-13(2)3)17-11-10-16-12-17/h8,10-12H,7,9H2,1-6H3
InChIKeyHIGYDTQMJJCEAV-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.39
Rot. Bonds4

About 1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole

1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole (PubChem CID 170367046) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole.

Molecular Properties

Compound Name1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole
PubChem CID170367046
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole
SMILESCCC(CC=C(C)C)(n1ccnc1)C(C)(C)C
InChIInChI=1S/C15H26N2/c1-7-15(14(4,5)6,9-8-13(2)3)17-11-10-16-12-17/h8,10-12H,7,9H2,1-6H3
InChIKeyHIGYDTQMJJCEAV-UHFFFAOYSA-N
XLogP4.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole?
The IUPAC name of 1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole (CID 170367046) is 1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole.
What is the SMILES notation for 1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole?
The canonical SMILES for 1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole is CCC(CC=C(C)C)(n1ccnc1)C(C)(C)C.
What is the InChIKey of 1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole?
The InChIKey is HIGYDTQMJJCEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-7-15(14(4,5)6,9-8-13(2)3)17-11-10-16-12-17/h8,10-12H,7,9H2,1-6H3.
What are the key properties of 1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole?
1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole has a molecular weight of 234.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2,2,6-trimethylhept-5-en-3-yl)imidazole is sourced from PubChem (CID 170367046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).