didodecyl(dimethyl)azanium bromide

C26H56BrN — CID 18669

IUPACdidodecyl(dimethyl)azanium bromide
SMILESCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]
InChIInChI=1S/C26H56N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1
InChIKeyXRWMGCFJVKDVMD-UHFFFAOYSA-M
MW462.65 g/mol
LogP5.91
Rot. Bonds22

About didodecyl(dimethyl)azanium bromide

didodecyl(dimethyl)azanium bromide (PubChem CID 18669) has the molecular formula C26H56BrN and a molecular weight of 462.65 g/mol. Its IUPAC name is didodecyl(dimethyl)azanium bromide.

Molecular Properties

Compound Namedidodecyl(dimethyl)azanium bromide
PubChem CID18669
Molecular FormulaC26H56BrN
Molecular Weight462.65 g/mol
Exact Mass461.36
IUPAC Namedidodecyl(dimethyl)azanium bromide
SMILESCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]
InChIInChI=1S/C26H56N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1
InChIKeyXRWMGCFJVKDVMD-UHFFFAOYSA-M
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.65
LogP ≤ 55.91
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 didodecyl(dimethyl)azanium bromide?
The IUPAC name of didodecyl(dimethyl)azanium bromide (CID 18669) is didodecyl(dimethyl)azanium bromide.
What is the SMILES notation for didodecyl(dimethyl)azanium bromide?
The canonical SMILES for didodecyl(dimethyl)azanium bromide is CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-].
What is the InChIKey of didodecyl(dimethyl)azanium bromide?
The InChIKey is XRWMGCFJVKDVMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H56N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1.
What are the key properties of didodecyl(dimethyl)azanium bromide?
didodecyl(dimethyl)azanium bromide has a molecular weight of 462.65 g/mol, XLogP of 5.91, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for didodecyl(dimethyl)azanium bromide is sourced from PubChem (CID 18669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).