1-butyl-1-methylpyrrolidin-1-ium iodide

C9H20IN — CID 11076461

IUPAC1-butyl-1-methylpyrrolidin-1-ium iodide
SMILESCCCC[N+]1(C)CCCC1.[I-]
InChIInChI=1S/C9H20N.HI/c1-3-4-7-10(2)8-5-6-9-10;/h3-9H2,1-2H3;1H/q+1;/p-1
InChIKeyBEZANEDYKZXSCF-UHFFFAOYSA-M
MW269.17 g/mol
LogP-0.97
Rot. Bonds3

About 1-butyl-1-methylpyrrolidin-1-ium iodide

1-butyl-1-methylpyrrolidin-1-ium iodide (PubChem CID 11076461) has the molecular formula C9H20IN and a molecular weight of 269.17 g/mol. Its IUPAC name is 1-butyl-1-methylpyrrolidin-1-ium iodide.

Molecular Properties

Compound Name1-butyl-1-methylpyrrolidin-1-ium iodide
PubChem CID11076461
Molecular FormulaC9H20IN
Molecular Weight269.17 g/mol
Exact Mass269.06
IUPAC Name1-butyl-1-methylpyrrolidin-1-ium iodide
SMILESCCCC[N+]1(C)CCCC1.[I-]
InChIInChI=1S/C9H20N.HI/c1-3-4-7-10(2)8-5-6-9-10;/h3-9H2,1-2H3;1H/q+1;/p-1
InChIKeyBEZANEDYKZXSCF-UHFFFAOYSA-M
XLogP-0.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-nonylpyrrolidin-1-ium
CID 66835403
1-hexadecyl-1-methylazocan-1-ium bromide
CID 44612945
1-methyl-1-undecylpyrrolidin-1-ium cyanide
CID 171570218
bis(1-butyl-1-methylpyrrolidin-1-ium);hydrogen sulfate
CID 140689442
1-methyl-1-[16-(1-methylpyrrolidin-1-ium-1-yl)hexadecyl]pyrrolidin-1-ium
CID 10650384
1-methyl-1-[6-(1-methylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium dihydroxide
CID 156717813
1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium
CID 160666992
1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium
CID 3048054
1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide
CID 156595016
tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium)
CID 173104248
1,4-dimethyl-1,4-di(tetradecyl)piperazine-1,4-diium
CID 101485350
1-butyl-1-methylpyrrolidin-1-ium;2,2-dicyanoethenylideneazanide
CID 121235734

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-methylpyrrolidin-1-ium iodide?
The IUPAC name of 1-butyl-1-methylpyrrolidin-1-ium iodide (CID 11076461) is 1-butyl-1-methylpyrrolidin-1-ium iodide.
What is the SMILES notation for 1-butyl-1-methylpyrrolidin-1-ium iodide?
The canonical SMILES for 1-butyl-1-methylpyrrolidin-1-ium iodide is CCCC[N+]1(C)CCCC1.[I-].
What is the InChIKey of 1-butyl-1-methylpyrrolidin-1-ium iodide?
The InChIKey is BEZANEDYKZXSCF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N.HI/c1-3-4-7-10(2)8-5-6-9-10;/h3-9H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-butyl-1-methylpyrrolidin-1-ium iodide?
1-butyl-1-methylpyrrolidin-1-ium iodide has a molecular weight of 269.17 g/mol, XLogP of -0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-methylpyrrolidin-1-ium iodide is sourced from PubChem (CID 11076461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).