4-ethyl-1-propan-2-ylimidazole

C8H14N2 — CID 45087745

IUPAC4-ethyl-1-propan-2-ylimidazole
SMILESCCc1cn(C(C)C)cn1
InChIInChI=1S/C8H14N2/c1-4-8-5-10(6-9-8)7(2)3/h5-7H,4H2,1-3H3
InChIKeyKMWXRIZTBQYTGL-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.03
Rot. Bonds2

About 4-ethyl-1-propan-2-ylimidazole

4-ethyl-1-propan-2-ylimidazole (PubChem CID 45087745) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-ethyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name4-ethyl-1-propan-2-ylimidazole
PubChem CID45087745
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-ethyl-1-propan-2-ylimidazole
SMILESCCc1cn(C(C)C)cn1
InChIInChI=1S/C8H14N2/c1-4-8-5-10(6-9-8)7(2)3/h5-7H,4H2,1-3H3
InChIKeyKMWXRIZTBQYTGL-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylhistamine
CID 3614
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
3-Methylhistamine
CID 69520
1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
1-Methylhistamine dihydrochloride
CID 11957601
5-Isopropyl-1-methyl-2-nitro-1H-imidazole
CID 90175
1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
CID 90327
Zapotidine
CID 12445018
N-ethylhistamine
CID 44292270
2-(1-Methyl-1H-imidazol-4-yl)ethanamine hydrochloride
CID 16219661
2-(1-Isopropyl-1H-imidazol-4-yl)ethanamine
CID 585835

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-propan-2-ylimidazole?
The IUPAC name of 4-ethyl-1-propan-2-ylimidazole (CID 45087745) is 4-ethyl-1-propan-2-ylimidazole.
What is the SMILES notation for 4-ethyl-1-propan-2-ylimidazole?
The canonical SMILES for 4-ethyl-1-propan-2-ylimidazole is CCc1cn(C(C)C)cn1.
What is the InChIKey of 4-ethyl-1-propan-2-ylimidazole?
The InChIKey is KMWXRIZTBQYTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8-5-10(6-9-8)7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 4-ethyl-1-propan-2-ylimidazole?
4-ethyl-1-propan-2-ylimidazole has a molecular weight of 138.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-propan-2-ylimidazole is sourced from PubChem (CID 45087745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).