1-[1-(1-methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium

C10H22NO2+ — CID 23091893

IUPAC1-[1-(1-methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium
SMILESCOC(C)OC(C)[N+]1(C)CCCC1
InChIInChI=1S/C10H22NO2/c1-9(13-10(2)12-4)11(3)7-5-6-8-11/h9-10H,5-8H2,1-4H3/q+1
InChIKeyHLIZYAXXJLXANU-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.58
Rot. Bonds4

About 1-[1-(1-methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium

1-[1-(1-methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium (PubChem CID 23091893) has the molecular formula C10H22NO2+ and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-[1-(1-methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium.

Molecular Properties

Compound Name1-[1-(1-methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium
PubChem CID23091893
Molecular FormulaC10H22NO2+
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name1-[1-(1-methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium
SMILESCOC(C)OC(C)[N+]1(C)CCCC1
InChIInChI=1S/C10H22NO2/c1-9(13-10(2)12-4)11(3)7-5-6-8-11/h9-10H,5-8H2,1-4H3/q+1
InChIKeyHLIZYAXXJLXANU-UHFFFAOYSA-N
XLogP1.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-Pyrrolidineacetaldehyde, diethyl acetal
CID 96290
1-(3,3-Diethoxypropyl)pyrrolidine
CID 3783360
2,2-Diethoxy-1-methylpyrrolidine
CID 297308
(3,3-Diethoxypropyl)diethylamine
CID 15749029
1-(1,1-Dimethoxyethyl)pyrrolidine
CID 54128070
1-(4,4-Diethoxybutyl)pyrrolidine
CID 57067774
4,4-Diethoxy-N,N-diethyl-1-butanamine
CID 123134486
1-(4,4-Diethoxybut-2-ynyl)pyrrolidine
CID 11789085
1-Methyl-2,2-dipropoxypyrrolidine
CID 12705232
N-butyl-N-(diethoxymethyl)butan-1-amine
CID 14803554
N-(Diethoxymethyl)-N-propylpropan-1-amine
CID 14993404
2,2-Diethoxy-1-ethylpyrrolidine
CID 15748644

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium?
The IUPAC name of 1-[1-(1-methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium (CID 23091893) is 1-[1-(1-methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium.
What is the SMILES notation for 1-[1-(1-methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium?
The canonical SMILES for 1-[1-(1-methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium is COC(C)OC(C)[N+]1(C)CCCC1.
What is the InChIKey of 1-[1-(1-methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium?
The InChIKey is HLIZYAXXJLXANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO2/c1-9(13-10(2)12-4)11(3)7-5-6-8-11/h9-10H,5-8H2,1-4H3/q+1.
What are the key properties of 1-[1-(1-methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium?
1-[1-(1-methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium has a molecular weight of 188.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium is sourced from PubChem (CID 23091893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).