1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium dibromide

C20H42Br2N2 — CID 10624180

IUPAC1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium dibromide
SMILESC[N+]1(CCCCCCCCCC[N+]2(C)CCCC2)CCCC1.[Br-].[Br-]
InChIInChI=1S/C20H42N2.2BrH/c1-21(17-11-12-18-21)15-9-7-5-3-4-6-8-10-16-22(2)19-13-14-20-22;;/h3-20H2,1-2H3;2*1H/q+2;;/p-2
InChIKeyDALZWCDRJZMCOB-UHFFFAOYSA-L
MW470.38 g/mol
LogP-1.40
Rot. Bonds11

About 1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium dibromide

1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium dibromide (PubChem CID 10624180) has the molecular formula C20H42Br2N2 and a molecular weight of 470.38 g/mol. Its IUPAC name is 1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium dibromide.

Molecular Properties

Compound Name1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium dibromide
PubChem CID10624180
Molecular FormulaC20H42Br2N2
Molecular Weight470.38 g/mol
Exact Mass468.17
IUPAC Name1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium dibromide
SMILESC[N+]1(CCCCCCCCCC[N+]2(C)CCCC2)CCCC1.[Br-].[Br-]
InChIInChI=1S/C20H42N2.2BrH/c1-21(17-11-12-18-21)15-9-7-5-3-4-6-8-10-16-22(2)19-13-14-20-22;;/h3-20H2,1-2H3;2*1H/q+2;;/p-2
InChIKeyDALZWCDRJZMCOB-UHFFFAOYSA-L
XLogP-1.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 5-1.40
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-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium dibromide?
The IUPAC name of 1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium dibromide (CID 10624180) is 1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium dibromide.
What is the SMILES notation for 1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium dibromide?
The canonical SMILES for 1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium dibromide is C[N+]1(CCCCCCCCCC[N+]2(C)CCCC2)CCCC1.[Br-].[Br-].
What is the InChIKey of 1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium dibromide?
The InChIKey is DALZWCDRJZMCOB-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H42N2.2BrH/c1-21(17-11-12-18-21)15-9-7-5-3-4-6-8-10-16-22(2)19-13-14-20-22;;/h3-20H2,1-2H3;2*1H/q+2;;/p-2.
What are the key properties of 1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium dibromide?
1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium dibromide has a molecular weight of 470.38 g/mol, XLogP of -1.40, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium dibromide is sourced from PubChem (CID 10624180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).