2-ethyl-1-heptan-4-ylimidazole

C12H22N2 — CID 91216339

IUPAC2-ethyl-1-heptan-4-ylimidazole
SMILESCCCC(CCC)n1ccnc1CC
InChIInChI=1S/C12H22N2/c1-4-7-11(8-5-2)14-10-9-13-12(14)6-3/h9-11H,4-8H2,1-3H3
InChIKeyYNMAWWQLLNCWMU-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.59
Rot. Bonds6

About 2-ethyl-1-heptan-4-ylimidazole

2-ethyl-1-heptan-4-ylimidazole (PubChem CID 91216339) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-ethyl-1-heptan-4-ylimidazole.

Molecular Properties

Compound Name2-ethyl-1-heptan-4-ylimidazole
PubChem CID91216339
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-ethyl-1-heptan-4-ylimidazole
SMILESCCCC(CCC)n1ccnc1CC
InChIInChI=1S/C12H22N2/c1-4-7-11(8-5-2)14-10-9-13-12(14)6-3/h9-11H,4-8H2,1-3H3
InChIKeyYNMAWWQLLNCWMU-UHFFFAOYSA-N
XLogP3.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine
CID 62442957
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CID 83044065
2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide
CID 63810997
N-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine
CID 62566090
4-(2-ethylimidazol-1-yl)pentan-1-amine
CID 62442760
1-hexan-3-ylimidazol-2-amine
CID 106569829
N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine
CID 55072805
3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol
CID 114357761
N-ethyl-2-(2-methylimidazol-1-yl)pentan-1-amine
CID 83046025
1-pentan-2-yl-2-propan-2-ylimidazole
CID 122705417
2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine
CID 62443341
2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid
CID 165495562

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-heptan-4-ylimidazole?
The IUPAC name of 2-ethyl-1-heptan-4-ylimidazole (CID 91216339) is 2-ethyl-1-heptan-4-ylimidazole.
What is the SMILES notation for 2-ethyl-1-heptan-4-ylimidazole?
The canonical SMILES for 2-ethyl-1-heptan-4-ylimidazole is CCCC(CCC)n1ccnc1CC.
What is the InChIKey of 2-ethyl-1-heptan-4-ylimidazole?
The InChIKey is YNMAWWQLLNCWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-7-11(8-5-2)14-10-9-13-12(14)6-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-1-heptan-4-ylimidazole?
2-ethyl-1-heptan-4-ylimidazole has a molecular weight of 194.32 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-heptan-4-ylimidazole is sourced from PubChem (CID 91216339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).