2,4-dimethyl-1-propyl-1H-imidazol-1-ium

C8H15N2+ — CID 152750235

IUPAC2,4-dimethyl-1-propyl-1H-imidazol-1-ium
SMILESCCC[NH+]1C=C(C)N=C1C
InChIInChI=1S/C8H14N2/c1-4-5-10-6-7(2)9-8(10)3/h6H,4-5H2,1-3H3/p+1
InChIKeyHSTRVBYSLWZHSR-UHFFFAOYSA-O
MW139.22 g/mol
LogP0.57
Rot. Bonds2

About 2,4-dimethyl-1-propyl-1H-imidazol-1-ium

2,4-dimethyl-1-propyl-1H-imidazol-1-ium (PubChem CID 152750235) has the molecular formula C8H15N2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is 2,4-dimethyl-1-propyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name2,4-dimethyl-1-propyl-1H-imidazol-1-ium
PubChem CID152750235
Molecular FormulaC8H15N2+
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Name2,4-dimethyl-1-propyl-1H-imidazol-1-ium
SMILESCCC[NH+]1C=C(C)N=C1C
InChIInChI=1S/C8H14N2/c1-4-5-10-6-7(2)9-8(10)3/h6H,4-5H2,1-3H3/p+1
InChIKeyHSTRVBYSLWZHSR-UHFFFAOYSA-O
XLogP0.57
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethyl-4-methyl-1H-imidazol-1-ium-1-yl)propanenitrile
CID 21549849
2-ethyl-4-methyl-1H-imidazol-1-ium
CID 21549851
1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
1-butyl-2-methyl-1H-imidazol-1-ium chloride
CID 66619869
2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
CID 66764410
2-methyl-1-propyl-1H-imidazol-1-ium iodide
CID 66825902
1-butyl-2-methyl-1H-imidazol-1-ium iodide
CID 66955234
1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide
CID 66987741
2,4-dimethyl-1H-imidazol-1-ium chloride
CID 67915380
2-ethyl-4-methyl-1H-imidazol-1-ium bromide
CID 67927808
1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
CID 87342972
1-methanidyl-2,4-dimethyl-1H-imidazol-1-ium
CID 87342975

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-propyl-1H-imidazol-1-ium?
The IUPAC name of 2,4-dimethyl-1-propyl-1H-imidazol-1-ium (CID 152750235) is 2,4-dimethyl-1-propyl-1H-imidazol-1-ium.
What is the SMILES notation for 2,4-dimethyl-1-propyl-1H-imidazol-1-ium?
The canonical SMILES for 2,4-dimethyl-1-propyl-1H-imidazol-1-ium is CCC[NH+]1C=C(C)N=C1C.
What is the InChIKey of 2,4-dimethyl-1-propyl-1H-imidazol-1-ium?
The InChIKey is HSTRVBYSLWZHSR-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2/c1-4-5-10-6-7(2)9-8(10)3/h6H,4-5H2,1-3H3/p+1.
What are the key properties of 2,4-dimethyl-1-propyl-1H-imidazol-1-ium?
2,4-dimethyl-1-propyl-1H-imidazol-1-ium has a molecular weight of 139.22 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-propyl-1H-imidazol-1-ium is sourced from PubChem (CID 152750235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).