2-butan-2-yl-1-methylimidazole

C8H14N2 — CID 71438238

IUPAC2-butan-2-yl-1-methylimidazole
SMILESCCC(C)c1nccn1C
InChIInChI=1S/C8H14N2/c1-4-7(2)8-9-5-6-10(8)3/h5-7H,4H2,1-3H3
InChIKeyZZTSJXLCPVLKAM-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.93
Rot. Bonds2

About 2-butan-2-yl-1-methylimidazole

2-butan-2-yl-1-methylimidazole (PubChem CID 71438238) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-butan-2-yl-1-methylimidazole.

Molecular Properties

Compound Name2-butan-2-yl-1-methylimidazole
PubChem CID71438238
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-butan-2-yl-1-methylimidazole
SMILESCCC(C)c1nccn1C
InChIInChI=1S/C8H14N2/c1-4-7(2)8-9-5-6-10(8)3/h5-7H,4H2,1-3H3
InChIKeyZZTSJXLCPVLKAM-UHFFFAOYSA-N
XLogP1.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-methylimidazole?
The IUPAC name of 2-butan-2-yl-1-methylimidazole (CID 71438238) is 2-butan-2-yl-1-methylimidazole.
What is the SMILES notation for 2-butan-2-yl-1-methylimidazole?
The canonical SMILES for 2-butan-2-yl-1-methylimidazole is CCC(C)c1nccn1C.
What is the InChIKey of 2-butan-2-yl-1-methylimidazole?
The InChIKey is ZZTSJXLCPVLKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-7(2)8-9-5-6-10(8)3/h5-7H,4H2,1-3H3.
What are the key properties of 2-butan-2-yl-1-methylimidazole?
2-butan-2-yl-1-methylimidazole has a molecular weight of 138.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-methylimidazole is sourced from PubChem (CID 71438238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).