4-(3,3-dimethylbutyl)-1-methylimidazole

C10H18N2 — CID 59832140

IUPAC4-(3,3-dimethylbutyl)-1-methylimidazole
SMILESCn1cnc(CCC(C)(C)C)c1
InChIInChI=1S/C10H18N2/c1-10(2,3)6-5-9-7-12(4)8-11-9/h7-8H,5-6H2,1-4H3
InChIKeyQQOAAWHFTAJUTK-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.40
Rot. Bonds2

About 4-(3,3-dimethylbutyl)-1-methylimidazole

4-(3,3-dimethylbutyl)-1-methylimidazole (PubChem CID 59832140) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-1-methylimidazole.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)-1-methylimidazole
PubChem CID59832140
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-(3,3-dimethylbutyl)-1-methylimidazole
SMILESCn1cnc(CCC(C)(C)C)c1
InChIInChI=1S/C10H18N2/c1-10(2,3)6-5-9-7-12(4)8-11-9/h7-8H,5-6H2,1-4H3
InChIKeyQQOAAWHFTAJUTK-UHFFFAOYSA-N
XLogP2.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)-1-methylimidazole?
The IUPAC name of 4-(3,3-dimethylbutyl)-1-methylimidazole (CID 59832140) is 4-(3,3-dimethylbutyl)-1-methylimidazole.
What is the SMILES notation for 4-(3,3-dimethylbutyl)-1-methylimidazole?
The canonical SMILES for 4-(3,3-dimethylbutyl)-1-methylimidazole is Cn1cnc(CCC(C)(C)C)c1.
What is the InChIKey of 4-(3,3-dimethylbutyl)-1-methylimidazole?
The InChIKey is QQOAAWHFTAJUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2,3)6-5-9-7-12(4)8-11-9/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-(3,3-dimethylbutyl)-1-methylimidazole?
4-(3,3-dimethylbutyl)-1-methylimidazole has a molecular weight of 166.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-1-methylimidazole is sourced from PubChem (CID 59832140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).