1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium

C11H24NO+ — CID 23116079

IUPAC1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium
SMILESCCCC[N+]1(COCC)CCCC1
InChIInChI=1S/C11H24NO/c1-3-5-8-12(11-13-4-2)9-6-7-10-12/h3-11H2,1-2H3/q+1
InChIKeyFWMPHIOVNKHABS-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.39
Rot. Bonds6

About 1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium

1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium (PubChem CID 23116079) has the molecular formula C11H24NO+ and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium.

Molecular Properties

Compound Name1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium
PubChem CID23116079
Molecular FormulaC11H24NO+
Molecular Weight186.32 g/mol
Exact Mass186.19
IUPAC Name1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium
SMILESCCCC[N+]1(COCC)CCCC1
InChIInChI=1S/C11H24NO/c1-3-5-8-12(11-13-4-2)9-6-7-10-12/h3-11H2,1-2H3/q+1
InChIKeyFWMPHIOVNKHABS-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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-butyl-1-(ethoxymethyl)pyrrolidin-1-ium nitrate
CID 68646601
1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate
CID 87289717
1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride
CID 23116063
1-(ethoxymethyl)-1-propylpyrrolidin-1-ium nitrite
CID 87528955
1-butyl-1-octylpyrrolidin-1-ium
CID 66835414
1-butyl-1-heptadecylpyrrolidin-1-ium
CID 69388710
1-butyl-1-ethylpyrrolidin-1-ium tetrafluoroborate
CID 90238613
1-butyl-1-pentylpiperidin-1-ium fluoride
CID 171571240
1-(ethoxymethyl)-1-propylpyrrolidin-1-ium;2,2,2-trifluoroacetate
CID 66838630
1-butyl-1-(2-methoxyethyl)pyrrolidin-1-ium
CID 66835460
1,1-di(nonadecyl)pyrrolidin-1-ium
CID 69397839
1-hexadecyl-1-pentadecylpyrrolidin-1-ium
CID 69388333

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium?
The IUPAC name of 1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium (CID 23116079) is 1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium.
What is the SMILES notation for 1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium?
The canonical SMILES for 1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium is CCCC[N+]1(COCC)CCCC1.
What is the InChIKey of 1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium?
The InChIKey is FWMPHIOVNKHABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO/c1-3-5-8-12(11-13-4-2)9-6-7-10-12/h3-11H2,1-2H3/q+1.
What are the key properties of 1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium?
1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium has a molecular weight of 186.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium is sourced from PubChem (CID 23116079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).