tripropyl(tetracosyl)azanium bromide

C33H70BrN — CID 153322910

IUPACtripropyl(tetracosyl)azanium bromide
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[N+](CCC)(CCC)CCC.[Br-]
InChIInChI=1S/C33H70N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-34(30-6-2,31-7-3)32-8-4;/h5-33H2,1-4H3;1H/q+1;/p-1
InChIKeyRGDSCLRTXPXGMT-UHFFFAOYSA-M
MW560.83 g/mol
LogP8.64
Rot. Bonds29

About tripropyl(tetracosyl)azanium bromide

tripropyl(tetracosyl)azanium bromide (PubChem CID 153322910) has the molecular formula C33H70BrN and a molecular weight of 560.83 g/mol. Its IUPAC name is tripropyl(tetracosyl)azanium bromide.

Molecular Properties

Compound Nametripropyl(tetracosyl)azanium bromide
PubChem CID153322910
Molecular FormulaC33H70BrN
Molecular Weight560.83 g/mol
Exact Mass559.47
IUPAC Nametripropyl(tetracosyl)azanium bromide
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[N+](CCC)(CCC)CCC.[Br-]
InChIInChI=1S/C33H70N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-34(30-6-2,31-7-3)32-8-4;/h5-33H2,1-4H3;1H/q+1;/p-1
InChIKeyRGDSCLRTXPXGMT-UHFFFAOYSA-M
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.83
LogP ≤ 58.64
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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Related Compounds

propyl-tri(tetradecyl)azanium
CID 22408967
dihexyl(dipropyl)azanium
CID 23088856
hexadecyl-[4-[hexadecyl(dipropyl)azaniumyl]butyl]-dipropylazanium
CID 122218461
propyl-tri(undecyl)azanium
CID 54352857
didecyl(dipropyl)azanium chloride
CID 16747386
dibutyl-hexadecyl-propylazanium
CID 87194483
dodecyl(tripropyl)azanium hydroxide
CID 19814016
dodecyl(tripentyl)azanium bromide
CID 87778568
bis(tetrahexylazanium) dibromide
CID 172733751
tris(trihexyl(tetradecyl)azanium);tribromide
CID 170566569
trihexyl-[10-(trihexylazaniumyl)decyl]azanium dibromide
CID 86139253
tributyl(dodecyl)azanium bromide
CID 19858509

Frequently Asked Questions

What is the IUPAC name of tripropyl(tetracosyl)azanium bromide?
The IUPAC name of tripropyl(tetracosyl)azanium bromide (CID 153322910) is tripropyl(tetracosyl)azanium bromide.
What is the SMILES notation for tripropyl(tetracosyl)azanium bromide?
The canonical SMILES for tripropyl(tetracosyl)azanium bromide is CCCCCCCCCCCCCCCCCCCCCCCC[N+](CCC)(CCC)CCC.[Br-].
What is the InChIKey of tripropyl(tetracosyl)azanium bromide?
The InChIKey is RGDSCLRTXPXGMT-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H70N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-34(30-6-2,31-7-3)32-8-4;/h5-33H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tripropyl(tetracosyl)azanium bromide?
tripropyl(tetracosyl)azanium bromide has a molecular weight of 560.83 g/mol, XLogP of 8.64, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tripropyl(tetracosyl)azanium bromide is sourced from PubChem (CID 153322910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).