azanium;dimethyl-di(tetradecyl)azanium;dibromide

C30H68Br2N2 — CID 172853989

IUPACazanium;dimethyl-di(tetradecyl)azanium;dibromide
SMILESCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.[Br-].[Br-].[NH4+]
InChIInChI=1S/C30H64N.2BrH.H3N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;;;/h5-30H2,1-4H3;2*1H;1H3/q+1;;;/p-1
InChIKeyYLGUCLLAAMVVKY-UHFFFAOYSA-M
MW616.70 g/mol
LogP4.85
Rot. Bonds26

About azanium;dimethyl-di(tetradecyl)azanium;dibromide

azanium;dimethyl-di(tetradecyl)azanium;dibromide (PubChem CID 172853989) has the molecular formula C30H68Br2N2 and a molecular weight of 616.70 g/mol. Its IUPAC name is azanium;dimethyl-di(tetradecyl)azanium;dibromide.

Molecular Properties

Compound Nameazanium;dimethyl-di(tetradecyl)azanium;dibromide
PubChem CID172853989
Molecular FormulaC30H68Br2N2
Molecular Weight616.70 g/mol
Exact Mass614.37
IUPAC Nameazanium;dimethyl-di(tetradecyl)azanium;dibromide
SMILESCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.[Br-].[Br-].[NH4+]
InChIInChI=1S/C30H64N.2BrH.H3N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;;;/h5-30H2,1-4H3;2*1H;1H3/q+1;;;/p-1
InChIKeyYLGUCLLAAMVVKY-UHFFFAOYSA-M
XLogP4.85
TPSA36.50 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.70
LogP ≤ 54.85
H-Bond Donors ≤ 51
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

docosyl-dimethyl-octylazanium bromide
CID 71367843
6-[dimethyl(octadecyl)azaniumyl]hexyl-hexyl-dimethylazanium dibromide
CID 175685910
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium dibromide
CID 154726412
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium dibromide
CID 12958279
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
dodecyl-dimethyl-undecylazanium
CID 21491028

Frequently Asked Questions

What is the IUPAC name of azanium;dimethyl-di(tetradecyl)azanium;dibromide?
The IUPAC name of azanium;dimethyl-di(tetradecyl)azanium;dibromide (CID 172853989) is azanium;dimethyl-di(tetradecyl)azanium;dibromide.
What is the SMILES notation for azanium;dimethyl-di(tetradecyl)azanium;dibromide?
The canonical SMILES for azanium;dimethyl-di(tetradecyl)azanium;dibromide is CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.[Br-].[Br-].[NH4+].
What is the InChIKey of azanium;dimethyl-di(tetradecyl)azanium;dibromide?
The InChIKey is YLGUCLLAAMVVKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H64N.2BrH.H3N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;;;/h5-30H2,1-4H3;2*1H;1H3/q+1;;;/p-1.
What are the key properties of azanium;dimethyl-di(tetradecyl)azanium;dibromide?
azanium;dimethyl-di(tetradecyl)azanium;dibromide has a molecular weight of 616.70 g/mol, XLogP of 4.85, 26 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;dimethyl-di(tetradecyl)azanium;dibromide is sourced from PubChem (CID 172853989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).