1-(3-methoxy-3-methylbutyl)-4,5-dimethylimidazole

C11H20N2O — CID 102977698

IUPAC1-(3-methoxy-3-methylbutyl)-4,5-dimethylimidazole
SMILESCOC(C)(C)CCn1cnc(C)c1C
InChIInChI=1S/C11H20N2O/c1-9-10(2)13(8-12-9)7-6-11(3,4)14-5/h8H,6-7H2,1-5H3
InChIKeySJRNXRGECXAABB-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.32
Rot. Bonds4

About 1-(3-methoxy-3-methylbutyl)-4,5-dimethylimidazole

1-(3-methoxy-3-methylbutyl)-4,5-dimethylimidazole (PubChem CID 102977698) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-4,5-dimethylimidazole
PubChem CID102977698
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(3-methoxy-3-methylbutyl)-4,5-dimethylimidazole
SMILESCOC(C)(C)CCn1cnc(C)c1C
InChIInChI=1S/C11H20N2O/c1-9-10(2)13(8-12-9)7-6-11(3,4)14-5/h8H,6-7H2,1-5H3
InChIKeySJRNXRGECXAABB-UHFFFAOYSA-N
XLogP2.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)-4,5-dimethylimidazole?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-4,5-dimethylimidazole (CID 102977698) is 1-(3-methoxy-3-methylbutyl)-4,5-dimethylimidazole.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-4,5-dimethylimidazole?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-4,5-dimethylimidazole is COC(C)(C)CCn1cnc(C)c1C.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-4,5-dimethylimidazole?
The InChIKey is SJRNXRGECXAABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-10(2)13(8-12-9)7-6-11(3,4)14-5/h8H,6-7H2,1-5H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)-4,5-dimethylimidazole?
1-(3-methoxy-3-methylbutyl)-4,5-dimethylimidazole has a molecular weight of 196.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-4,5-dimethylimidazole is sourced from PubChem (CID 102977698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).