1-methyl-3-pentylimidazol-1-ium iodide

C9H17IN2 — CID 11403236

IUPAC1-methyl-3-pentylimidazol-1-ium iodide
SMILESCCCCCn1cc[n+](C)c1.[I-]
InChIInChI=1S/C9H17N2.HI/c1-3-4-5-6-11-8-7-10(2)9-11;/h7-9H,3-6H2,1-2H3;1H/q+1;/p-1
InChIKeyLOYMWUBUAVNERS-UHFFFAOYSA-M
MW280.15 g/mol
LogP-1.49
Rot. Bonds4

About 1-methyl-3-pentylimidazol-1-ium iodide

1-methyl-3-pentylimidazol-1-ium iodide (PubChem CID 11403236) has the molecular formula C9H17IN2 and a molecular weight of 280.15 g/mol. Its IUPAC name is 1-methyl-3-pentylimidazol-1-ium iodide.

Molecular Properties

Compound Name1-methyl-3-pentylimidazol-1-ium iodide
PubChem CID11403236
Molecular FormulaC9H17IN2
Molecular Weight280.15 g/mol
Exact Mass280.04
IUPAC Name1-methyl-3-pentylimidazol-1-ium iodide
SMILESCCCCCn1cc[n+](C)c1.[I-]
InChIInChI=1S/C9H17N2.HI/c1-3-4-5-6-11-8-7-10(2)9-11;/h7-9H,3-6H2,1-2H3;1H/q+1;/p-1
InChIKeyLOYMWUBUAVNERS-UHFFFAOYSA-M
XLogP-1.49
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-decyl-3-methylimidazol-3-ium hydroxide
CID 162364634
1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779
1-methyl-3-nonadecylimidazol-1-ium chloride
CID 10452646
1-icosyl-3-methylimidazol-3-ium bromide
CID 141143655
1-dotetracontyl-3-methylimidazol-3-ium chloride
CID 141281431
1-butyl-3-methylimidazol-3-ium;tetrahydrate
CID 175081123
1-methyl-3-[10-(3-methylimidazol-3-ium-1-yl)decyl]imidazol-1-ium diiodide
CID 46185650
1-dodecyl-3-methylimidazol-3-ium tetrafluoroborate
CID 46226173
1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate
CID 11269922
heptakis(1-hexyl-3-methylimidazol-3-ium);borate;tetrafluoride
CID 175093615
1-butyl-3-methylimidazol-3-ium;molecular bromine;bromide
CID 11245926
1-butyl-3-methylimidazol-3-ium;chloroplatinum
CID 175008486

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pentylimidazol-1-ium iodide?
The IUPAC name of 1-methyl-3-pentylimidazol-1-ium iodide (CID 11403236) is 1-methyl-3-pentylimidazol-1-ium iodide.
What is the SMILES notation for 1-methyl-3-pentylimidazol-1-ium iodide?
The canonical SMILES for 1-methyl-3-pentylimidazol-1-ium iodide is CCCCCn1cc[n+](C)c1.[I-].
What is the InChIKey of 1-methyl-3-pentylimidazol-1-ium iodide?
The InChIKey is LOYMWUBUAVNERS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17N2.HI/c1-3-4-5-6-11-8-7-10(2)9-11;/h7-9H,3-6H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-3-pentylimidazol-1-ium iodide?
1-methyl-3-pentylimidazol-1-ium iodide has a molecular weight of 280.15 g/mol, XLogP of -1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pentylimidazol-1-ium iodide is sourced from PubChem (CID 11403236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).