1-ethyl-1-undecylpyrrolidin-1-ium chloride

C17H36ClN — CID 171571216

IUPAC1-ethyl-1-undecylpyrrolidin-1-ium chloride
SMILESCCCCCCCCCCC[N+]1(CC)CCCC1.[Cl-]
InChIInChI=1S/C17H36N.ClH/c1-3-5-6-7-8-9-10-11-12-15-18(4-2)16-13-14-17-18;/h3-17H2,1-2H3;1H/q+1;/p-1
InChIKeyYHKXNRJGWQWTPC-UHFFFAOYSA-M
MW289.94 g/mol
LogP2.15
Rot. Bonds11

About 1-ethyl-1-undecylpyrrolidin-1-ium chloride

1-ethyl-1-undecylpyrrolidin-1-ium chloride (PubChem CID 171571216) has the molecular formula C17H36ClN and a molecular weight of 289.94 g/mol. Its IUPAC name is 1-ethyl-1-undecylpyrrolidin-1-ium chloride.

Molecular Properties

Compound Name1-ethyl-1-undecylpyrrolidin-1-ium chloride
PubChem CID171571216
Molecular FormulaC17H36ClN
Molecular Weight289.94 g/mol
Exact Mass289.25
IUPAC Name1-ethyl-1-undecylpyrrolidin-1-ium chloride
SMILESCCCCCCCCCCC[N+]1(CC)CCCC1.[Cl-]
InChIInChI=1S/C17H36N.ClH/c1-3-5-6-7-8-9-10-11-12-15-18(4-2)16-13-14-17-18;/h3-17H2,1-2H3;1H/q+1;/p-1
InChIKeyYHKXNRJGWQWTPC-UHFFFAOYSA-M
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.94
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-heptadecyl-1-octadecylpyrrolidin-1-ium
CID 69389776
1-hexadecyl-1-pentadecylpyrrolidin-1-ium
CID 69388333
1-heptyl-1-undecylpyrrolidin-1-ium
CID 69393872
1-octadecyl-1-[4-(1-octadecylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
CID 122216104
1-nonadecyl-1-octadecylpyrrolidin-1-ium
CID 69388372
1-dodecyl-1-pentylpyrrolidin-1-ium
CID 69392906
1,1-di(nonadecyl)pyrrolidin-1-ium
CID 69397839
1-dodecyl-1-[6-(1-dodecylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
CID 102527529
1-butyl-1-heptadecylpyrrolidin-1-ium
CID 69388710
1,1-dioctylpiperidin-1-ium
CID 23148538
1-dodecyl-1-octylpiperidin-1-ium
CID 172831286
1-dodecyl-1-[14-(1-dodecylpyrrolidin-1-ium-1-yl)tetradecyl]pyrrolidin-1-ium dibromide
CID 175685029

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-undecylpyrrolidin-1-ium chloride?
The IUPAC name of 1-ethyl-1-undecylpyrrolidin-1-ium chloride (CID 171571216) is 1-ethyl-1-undecylpyrrolidin-1-ium chloride.
What is the SMILES notation for 1-ethyl-1-undecylpyrrolidin-1-ium chloride?
The canonical SMILES for 1-ethyl-1-undecylpyrrolidin-1-ium chloride is CCCCCCCCCCC[N+]1(CC)CCCC1.[Cl-].
What is the InChIKey of 1-ethyl-1-undecylpyrrolidin-1-ium chloride?
The InChIKey is YHKXNRJGWQWTPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H36N.ClH/c1-3-5-6-7-8-9-10-11-12-15-18(4-2)16-13-14-17-18;/h3-17H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-ethyl-1-undecylpyrrolidin-1-ium chloride?
1-ethyl-1-undecylpyrrolidin-1-ium chloride has a molecular weight of 289.94 g/mol, XLogP of 2.15, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-undecylpyrrolidin-1-ium chloride is sourced from PubChem (CID 171571216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).