tetratriacontylazanium bromide

C34H72BrN — CID 141191350

IUPACtetratriacontylazanium bromide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[NH3+].[Br-]
InChIInChI=1S/C34H71N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35;/h2-35H2,1H3;1H
InChIKeyFCHWTAWZCYBRPV-UHFFFAOYSA-N
MW574.86 g/mol
LogP8.74
Rot. Bonds32

About tetratriacontylazanium bromide

tetratriacontylazanium bromide (PubChem CID 141191350) has the molecular formula C34H72BrN and a molecular weight of 574.86 g/mol. Its IUPAC name is tetratriacontylazanium bromide.

Molecular Properties

Compound Nametetratriacontylazanium bromide
PubChem CID141191350
Molecular FormulaC34H72BrN
Molecular Weight574.86 g/mol
Exact Mass573.48
IUPAC Nametetratriacontylazanium bromide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[NH3+].[Br-]
InChIInChI=1S/C34H71N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35;/h2-35H2,1H3;1H
InChIKeyFCHWTAWZCYBRPV-UHFFFAOYSA-N
XLogP8.74
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.86
LogP ≤ 58.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(octadecylazanium);tribromide
CID 141071881
undecylazanium bromide
CID 87480687
dodecylazanium;bromide;hydrate
CID 139078665
dodecylazanium;hydrochloride
CID 22568612
tridecylazanium;chloride;hydrate
CID 139080710
dodecylazanium tetrafluoroborate
CID 141181929
triazanium;butylazanium;tetrabromide
CID 139693201
iminomethylideneazanide;bis(pentadecylazanium)
CID 156625536
ethane;1-fluorohexane;hexylazanium
CID 145193616
octylazanium;sulfate
CID 87714647
octylazanium;carbonate
CID 141329834
hexylazanium;sulfate
CID 88757421

Frequently Asked Questions

What is the IUPAC name of tetratriacontylazanium bromide?
The IUPAC name of tetratriacontylazanium bromide (CID 141191350) is tetratriacontylazanium bromide.
What is the SMILES notation for tetratriacontylazanium bromide?
The canonical SMILES for tetratriacontylazanium bromide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[NH3+].[Br-].
What is the InChIKey of tetratriacontylazanium bromide?
The InChIKey is FCHWTAWZCYBRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35;/h2-35H2,1H3;1H.
What are the key properties of tetratriacontylazanium bromide?
tetratriacontylazanium bromide has a molecular weight of 574.86 g/mol, XLogP of 8.74, 32 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetratriacontylazanium bromide is sourced from PubChem (CID 141191350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).