4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1,2-dimethylimidazole

C14H22N2 — CID 20711753

IUPAC4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1,2-dimethylimidazole
SMILESCC1=C(C)CC(Cc2cn(C)c(C)n2)CC1
InChIInChI=1S/C14H22N2/c1-10-5-6-13(7-11(10)2)8-14-9-16(4)12(3)15-14/h9,13H,5-8H2,1-4H3
InChIKeyCKBDLFKIMVGYFP-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.41
Rot. Bonds2

About 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1,2-dimethylimidazole

4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1,2-dimethylimidazole (PubChem CID 20711753) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1,2-dimethylimidazole.

Molecular Properties

Compound Name4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1,2-dimethylimidazole
PubChem CID20711753
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1,2-dimethylimidazole
SMILESCC1=C(C)CC(Cc2cn(C)c(C)n2)CC1
InChIInChI=1S/C14H22N2/c1-10-5-6-13(7-11(10)2)8-14-9-16(4)12(3)15-14/h9,13H,5-8H2,1-4H3
InChIKeyCKBDLFKIMVGYFP-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.41
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 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1,2-dimethylimidazole?
The IUPAC name of 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1,2-dimethylimidazole (CID 20711753) is 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1,2-dimethylimidazole.
What is the SMILES notation for 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1,2-dimethylimidazole?
The canonical SMILES for 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1,2-dimethylimidazole is CC1=C(C)CC(Cc2cn(C)c(C)n2)CC1.
What is the InChIKey of 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1,2-dimethylimidazole?
The InChIKey is CKBDLFKIMVGYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-5-6-13(7-11(10)2)8-14-9-16(4)12(3)15-14/h9,13H,5-8H2,1-4H3.
What are the key properties of 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1,2-dimethylimidazole?
4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1,2-dimethylimidazole has a molecular weight of 218.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1,2-dimethylimidazole is sourced from PubChem (CID 20711753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).