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

C8H15IN2 — CID 66764410

IUPAC2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
SMILESCCC[NH+]1C=C(C)N=C1C.[I-]
InChIInChI=1S/C8H14N2.HI/c1-4-5-10-6-7(2)9-8(10)3;/h6H,4-5H2,1-3H3;1H
InChIKeySZTSOGYCXBVMMT-UHFFFAOYSA-N
MW266.13 g/mol
LogP-2.42
Rot. Bonds2

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

2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide (PubChem CID 66764410) has the molecular formula C8H15IN2 and a molecular weight of 266.13 g/mol. Its IUPAC name is 2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide.

Molecular Properties

Compound Name2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
PubChem CID66764410
Molecular FormulaC8H15IN2
Molecular Weight266.13 g/mol
Exact Mass266.03
IUPAC Name2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
SMILESCCC[NH+]1C=C(C)N=C1C.[I-]
InChIInChI=1S/C8H14N2.HI/c1-4-5-10-6-7(2)9-8(10)3;/h6H,4-5H2,1-3H3;1H
InChIKeySZTSOGYCXBVMMT-UHFFFAOYSA-N
XLogP-2.42
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 5-2.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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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
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
2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide
CID 69478128
1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
CID 87342972
1-methanidyl-2,4-dimethyl-1H-imidazol-1-ium
CID 87342975
2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate
CID 87653770
N-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide
CID 134365968

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide?
The IUPAC name of 2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide (CID 66764410) is 2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide.
What is the SMILES notation for 2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide?
The canonical SMILES for 2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide is CCC[NH+]1C=C(C)N=C1C.[I-].
What is the InChIKey of 2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide?
The InChIKey is SZTSOGYCXBVMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.HI/c1-4-5-10-6-7(2)9-8(10)3;/h6H,4-5H2,1-3H3;1H.
What are the key properties of 2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide?
2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide has a molecular weight of 266.13 g/mol, XLogP of -2.42, 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 iodide is sourced from PubChem (CID 66764410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).