2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole

C13H24N2 — CID 144691458

IUPAC2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole
SMILESCCC(Cc1nc(C)c(C)n1C)C(C)C
InChIInChI=1S/C13H24N2/c1-7-12(9(2)3)8-13-14-10(4)11(5)15(13)6/h9,12H,7-8H2,1-6H3
InChIKeyKYZZRZKOSNQVDX-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.26
Rot. Bonds4

About 2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole

2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole (PubChem CID 144691458) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole.

Molecular Properties

Compound Name2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole
PubChem CID144691458
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole
SMILESCCC(Cc1nc(C)c(C)n1C)C(C)C
InChIInChI=1S/C13H24N2/c1-7-12(9(2)3)8-13-14-10(4)11(5)15(13)6/h9,12H,7-8H2,1-6H3
InChIKeyKYZZRZKOSNQVDX-UHFFFAOYSA-N
XLogP3.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,4,5-trimethylimidazol-2-yl)ethanethiol
CID 154656315
4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine
CID 58395091
1-(1,4,5-trimethylimidazol-2-yl)ethanamine
CID 82463368
N-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide
CID 23555782
N-[(1,4,5-trimethylimidazol-2-yl)methyl]prop-2-en-1-imine
CID 139297464
2-(2-ethyl-3-methylbutyl)-5-methylpyrazine
CID 166998312
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
1,4-dimethyl-5-pentan-3-yl-2-propylimidazole
CID 175255669
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine
CID 105035109
N',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine
CID 46784303
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole?
The IUPAC name of 2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole (CID 144691458) is 2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole.
What is the SMILES notation for 2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole?
The canonical SMILES for 2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole is CCC(Cc1nc(C)c(C)n1C)C(C)C.
What is the InChIKey of 2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole?
The InChIKey is KYZZRZKOSNQVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-7-12(9(2)3)8-13-14-10(4)11(5)15(13)6/h9,12H,7-8H2,1-6H3.
What are the key properties of 2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole?
2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole has a molecular weight of 208.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole is sourced from PubChem (CID 144691458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).