1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium

C11H24NO+ — CID 66835460

IUPAC1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium
SMILESCCCC[N+]1(CCOC)CCCC1
InChIInChI=1S/C11H24NO/c1-3-4-7-12(10-11-13-2)8-5-6-9-12/h3-11H2,1-2H3/q+1
InChIKeyPJVNGLKKAWDGST-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.04
Rot. Bonds6

About 1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium

1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium (PubChem CID 66835460) has the molecular formula C11H24NO+ and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium.

Molecular Properties

Compound Name1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium
PubChem CID66835460
Molecular FormulaC11H24NO+
Molecular Weight186.32 g/mol
Exact Mass186.19
IUPAC Name1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium
SMILESCCCC[N+]1(CCOC)CCCC1
InChIInChI=1S/C11H24NO/c1-3-4-7-12(10-11-13-2)8-5-6-9-12/h3-11H2,1-2H3/q+1
InChIKeyPJVNGLKKAWDGST-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]pyrrolidine
CID 479962
Pyrrolidinium, 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methyl-
CID 479963
Plegarol
CID 120175
2-Methoxyethylpropylmethylamine
CID 21948265
Oxazolidine, 2-ethyl-3-isopropyl-
CID 247387
Pyrrolidinium, 1-ethyl-1-(2-(2-(ethyldimethylammonio)ethoxy)ethyl)-, dibromide
CID 3048198
Pyrrolidinium, 1-ethyl-1-(2-(2-(triethylammonio)ethoxy)ethyl)-, dibromide
CID 3048202
Pyrrolidinium, 1-methyl-1-(2-(2-(trimethylammonio)ethoxy)ethyl)-, diiodide
CID 3048209
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-1-methylpyrrolidin-1-ium iodide
CID 44265647
3-Butyl-1,3-oxazolidine
CID 12589268
Oxazolidine, 2-ethyl-3-methyl-
CID 559469
(2-Methoxy-ethyl)-dipropyl-amine
CID 58715651

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium?
The IUPAC name of 1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium (CID 66835460) is 1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium.
What is the SMILES notation for 1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium?
The canonical SMILES for 1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium is CCCC[N+]1(CCOC)CCCC1.
What is the InChIKey of 1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium?
The InChIKey is PJVNGLKKAWDGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO/c1-3-4-7-12(10-11-13-2)8-5-6-9-12/h3-11H2,1-2H3/q+1.
What are the key properties of 1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium?
1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium has a molecular weight of 186.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium is sourced from PubChem (CID 66835460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).