undecylazanium bromide

C11H26BrN — CID 87480687

IUPACundecylazanium bromide
SMILESCCCCCCCCCCC[NH3+].[Br-]
InChIInChI=1S/C11H25N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12;/h2-12H2,1H3;1H
InChIKeyZYIFWEZJBLPHPV-UHFFFAOYSA-N
MW252.24 g/mol
LogP-0.24
Rot. Bonds9

About undecylazanium bromide

undecylazanium bromide (PubChem CID 87480687) has the molecular formula C11H26BrN and a molecular weight of 252.24 g/mol. Its IUPAC name is undecylazanium bromide.

Molecular Properties

Compound Nameundecylazanium bromide
PubChem CID87480687
Molecular FormulaC11H26BrN
Molecular Weight252.24 g/mol
Exact Mass251.12
IUPAC Nameundecylazanium bromide
SMILESCCCCCCCCCCC[NH3+].[Br-]
InChIInChI=1S/C11H25N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12;/h2-12H2,1H3;1H
InChIKeyZYIFWEZJBLPHPV-UHFFFAOYSA-N
XLogP-0.24
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 5-0.24
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
tetratriacontylazanium bromide
CID 141191350
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 undecylazanium bromide?
The IUPAC name of undecylazanium bromide (CID 87480687) is undecylazanium bromide.
What is the SMILES notation for undecylazanium bromide?
The canonical SMILES for undecylazanium bromide is CCCCCCCCCCC[NH3+].[Br-].
What is the InChIKey of undecylazanium bromide?
The InChIKey is ZYIFWEZJBLPHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12;/h2-12H2,1H3;1H.
What are the key properties of undecylazanium bromide?
undecylazanium bromide has a molecular weight of 252.24 g/mol, XLogP of -0.24, 9 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undecylazanium bromide is sourced from PubChem (CID 87480687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).