1,3,4-triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium

C23H48N2+2 — CID 90242284

IUPAC1,3,4-triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium
SMILESCCC1C[N+](CC)(CCC[N+]2(CC)CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C23H48N2/c1-7-20-16-24(11-5,17-21(20)8-2)14-13-15-25(12-6)18-22(9-3)23(10-4)19-25/h20-23H,7-19H2,1-6H3/q+2
InChIKeyGXMYHRLWMHIWCK-UHFFFAOYSA-N
MW352.65 g/mol
LogP5.18
Rot. Bonds10

About 1,3,4-triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium

1,3,4-triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium (PubChem CID 90242284) has the molecular formula C23H48N2+2 and a molecular weight of 352.65 g/mol. Its IUPAC name is 1,3,4-triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium.

Molecular Properties

Compound Name1,3,4-triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium
PubChem CID90242284
Molecular FormulaC23H48N2+2
Molecular Weight352.65 g/mol
Exact Mass352.38
IUPAC Name1,3,4-triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium
SMILESCCC1C[N+](CC)(CCC[N+]2(CC)CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C23H48N2/c1-7-20-16-24(11-5,17-21(20)8-2)14-13-15-25(12-6)18-22(9-3)23(10-4)19-25/h20-23H,7-19H2,1-6H3/q+2
InChIKeyGXMYHRLWMHIWCK-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium?
The IUPAC name of 1,3,4-triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium (CID 90242284) is 1,3,4-triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium.
What is the SMILES notation for 1,3,4-triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium?
The canonical SMILES for 1,3,4-triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium is CCC1C[N+](CC)(CCC[N+]2(CC)CC(CC)C(CC)C2)CC1CC.
What is the InChIKey of 1,3,4-triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium?
The InChIKey is GXMYHRLWMHIWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2/c1-7-20-16-24(11-5,17-21(20)8-2)14-13-15-25(12-6)18-22(9-3)23(10-4)19-25/h20-23H,7-19H2,1-6H3/q+2.
What are the key properties of 1,3,4-triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium?
1,3,4-triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium has a molecular weight of 352.65 g/mol, XLogP of 5.18, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium is sourced from PubChem (CID 90242284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).