dodecylazanium;bromide;hydrate

C12H30BrNO — CID 139078665

IUPACdodecylazanium;bromide;hydrate
SMILESCCCCCCCCCCCC[NH3+].O.[Br-]
InChIInChI=1S/C12H27N.BrH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13;;/h2-13H2,1H3;1H;1H2
InChIKeyXZZIIUMJNYRIDA-UHFFFAOYSA-N
MW284.28 g/mol
LogP-0.67
Rot. Bonds10

About dodecylazanium;bromide;hydrate

dodecylazanium;bromide;hydrate (PubChem CID 139078665) has the molecular formula C12H30BrNO and a molecular weight of 284.28 g/mol. Its IUPAC name is dodecylazanium;bromide;hydrate.

Molecular Properties

Compound Namedodecylazanium;bromide;hydrate
PubChem CID139078665
Molecular FormulaC12H30BrNO
Molecular Weight284.28 g/mol
Exact Mass283.15
IUPAC Namedodecylazanium;bromide;hydrate
SMILESCCCCCCCCCCCC[NH3+].O.[Br-]
InChIInChI=1S/C12H27N.BrH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13;;/h2-13H2,1H3;1H;1H2
InChIKeyXZZIIUMJNYRIDA-UHFFFAOYSA-N
XLogP-0.67
TPSA59.14 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-0.67
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
tetratriacontylazanium bromide
CID 141191350
tridecylazanium;chloride;hydrate
CID 139080710
dodecylazanium;hydrochloride
CID 22568612
dodecylazanium tetrafluoroborate
CID 141181929
triazanium;butylazanium;tetrabromide
CID 139693201
heptane;hydrate
CID 57468513
hexylazanium;sulfate
CID 88757421
octylazanium;carbonate
CID 141329834
iminomethylideneazanide;bis(pentadecylazanium)
CID 156625536
ethane;1-fluorohexane;hexylazanium
CID 145193616

Frequently Asked Questions

What is the IUPAC name of dodecylazanium;bromide;hydrate?
The IUPAC name of dodecylazanium;bromide;hydrate (CID 139078665) is dodecylazanium;bromide;hydrate.
What is the SMILES notation for dodecylazanium;bromide;hydrate?
The canonical SMILES for dodecylazanium;bromide;hydrate is CCCCCCCCCCCC[NH3+].O.[Br-].
What is the InChIKey of dodecylazanium;bromide;hydrate?
The InChIKey is XZZIIUMJNYRIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.BrH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13;;/h2-13H2,1H3;1H;1H2.
What are the key properties of dodecylazanium;bromide;hydrate?
dodecylazanium;bromide;hydrate has a molecular weight of 284.28 g/mol, XLogP of -0.67, 10 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylazanium;bromide;hydrate is sourced from PubChem (CID 139078665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).