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

C13H20N2 — CID 20711755

IUPAC4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1-methylimidazole
SMILESCC1=C(C)CC(Cc2cn(C)cn2)CC1
InChIInChI=1S/C13H20N2/c1-10-4-5-12(6-11(10)2)7-13-8-15(3)9-14-13/h8-9,12H,4-7H2,1-3H3
InChIKeyKRAUXGHVPKYDIH-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.10
Rot. Bonds2

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

4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1-methylimidazole (PubChem CID 20711755) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1-methylimidazole.

Molecular Properties

Compound Name4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1-methylimidazole
PubChem CID20711755
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1-methylimidazole
SMILESCC1=C(C)CC(Cc2cn(C)cn2)CC1
InChIInChI=1S/C13H20N2/c1-10-4-5-12(6-11(10)2)7-13-8-15(3)9-14-13/h8-9,12H,4-7H2,1-3H3
InChIKeyKRAUXGHVPKYDIH-UHFFFAOYSA-N
XLogP3.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.10
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-methylimidazole?
The IUPAC name of 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1-methylimidazole (CID 20711755) is 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1-methylimidazole.
What is the SMILES notation for 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1-methylimidazole?
The canonical SMILES for 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1-methylimidazole is CC1=C(C)CC(Cc2cn(C)cn2)CC1.
What is the InChIKey of 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1-methylimidazole?
The InChIKey is KRAUXGHVPKYDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-4-5-12(6-11(10)2)7-13-8-15(3)9-14-13/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1-methylimidazole?
4-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1-methylimidazole has a molecular weight of 204.32 g/mol, XLogP of 3.10, 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-methylimidazole is sourced from PubChem (CID 20711755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).