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

C24H50N2+2 — CID 90241814

IUPAC1,3,4-triethyl-1-[4-(1,3,4-triethylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
SMILESCCC1C[N+](CC)(CCCC[N+]2(CC)CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C24H50N2/c1-7-21-17-25(11-5,18-22(21)8-2)15-13-14-16-26(12-6)19-23(9-3)24(10-4)20-26/h21-24H,7-20H2,1-6H3/q+2
InChIKeyYNRNGJXLKCPVJT-UHFFFAOYSA-N
MW366.68 g/mol
LogP5.57
Rot. Bonds11

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

1,3,4-triethyl-1-[4-(1,3,4-triethylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium (PubChem CID 90241814) has the molecular formula C24H50N2+2 and a molecular weight of 366.68 g/mol. Its IUPAC name is 1,3,4-triethyl-1-[4-(1,3,4-triethylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium.

Molecular Properties

Compound Name1,3,4-triethyl-1-[4-(1,3,4-triethylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
PubChem CID90241814
Molecular FormulaC24H50N2+2
Molecular Weight366.68 g/mol
Exact Mass366.40
IUPAC Name1,3,4-triethyl-1-[4-(1,3,4-triethylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
SMILESCCC1C[N+](CC)(CCCC[N+]2(CC)CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C24H50N2/c1-7-21-17-25(11-5,18-22(21)8-2)15-13-14-16-26(12-6)19-23(9-3)24(10-4)20-26/h21-24H,7-20H2,1-6H3/q+2
InChIKeyYNRNGJXLKCPVJT-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.68
LogP ≤ 55.57
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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Frequently Asked Questions

What is the IUPAC name of 1,3,4-triethyl-1-[4-(1,3,4-triethylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium?
The IUPAC name of 1,3,4-triethyl-1-[4-(1,3,4-triethylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium (CID 90241814) is 1,3,4-triethyl-1-[4-(1,3,4-triethylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium.
What is the SMILES notation for 1,3,4-triethyl-1-[4-(1,3,4-triethylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium?
The canonical SMILES for 1,3,4-triethyl-1-[4-(1,3,4-triethylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium is CCC1C[N+](CC)(CCCC[N+]2(CC)CC(CC)C(CC)C2)CC1CC.
What is the InChIKey of 1,3,4-triethyl-1-[4-(1,3,4-triethylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium?
The InChIKey is YNRNGJXLKCPVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2/c1-7-21-17-25(11-5,18-22(21)8-2)15-13-14-16-26(12-6)19-23(9-3)24(10-4)20-26/h21-24H,7-20H2,1-6H3/q+2.
What are the key properties of 1,3,4-triethyl-1-[4-(1,3,4-triethylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium?
1,3,4-triethyl-1-[4-(1,3,4-triethylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium has a molecular weight of 366.68 g/mol, XLogP of 5.57, 11 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-[4-(1,3,4-triethylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium is sourced from PubChem (CID 90241814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).