6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide

C10H26Br2N2 — CID 87519961

IUPAC6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide
SMILESC[NH+](C)CCCCCC[NH+](C)C.[Br-].[Br-]
InChIInChI=1S/C10H24N2.2BrH/c1-11(2)9-7-5-6-8-10-12(3)4;;/h5-10H2,1-4H3;2*1H
InChIKeyJBHIKOKLBGOTTG-UHFFFAOYSA-N
MW334.14 g/mol
LogP-7.16
Rot. Bonds7

About 6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide

6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide (PubChem CID 87519961) has the molecular formula C10H26Br2N2 and a molecular weight of 334.14 g/mol. Its IUPAC name is 6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide.

Molecular Properties

Compound Name6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide
PubChem CID87519961
Molecular FormulaC10H26Br2N2
Molecular Weight334.14 g/mol
Exact Mass332.05
IUPAC Name6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide
SMILESC[NH+](C)CCCCCC[NH+](C)C.[Br-].[Br-]
InChIInChI=1S/C10H24N2.2BrH/c1-11(2)9-7-5-6-8-10-12(3)4;;/h5-10H2,1-4H3;2*1H
InChIKeyJBHIKOKLBGOTTG-UHFFFAOYSA-N
XLogP-7.16
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 5-7.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dimethyl(tridecyl)azanium bromide
CID 87747637
dimethyl(octacosyl)azanium bromide
CID 140977947
dodecyl(dimethyl)azanium fluoride
CID 160570915
6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide
CID 102191630
4-hydroxybutyl(dimethyl)azanium chloride
CID 174716092
henicos-20-enyl(dimethyl)azanium chloride
CID 141237785
tris(hexadecyl(dimethyl)azanium);phosphate
CID 22924862
dimethyl(octyl)azanium;octadecanoic acid;bromide
CID 160849923
dimethyl-[13-(oxiran-2-yl)tridecyl]azanium chloride
CID 141216621
dimethyl(9-phenylnonyl)azanium dichloride
CID 87468123
dimethyl(14-phenyltetradecyl)azanium chloride
CID 70621589
heptyl-hexyl-methylazanium bromide
CID 139955900

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide?
The IUPAC name of 6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide (CID 87519961) is 6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide.
What is the SMILES notation for 6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide?
The canonical SMILES for 6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide is C[NH+](C)CCCCCC[NH+](C)C.[Br-].[Br-].
What is the InChIKey of 6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide?
The InChIKey is JBHIKOKLBGOTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2.2BrH/c1-11(2)9-7-5-6-8-10-12(3)4;;/h5-10H2,1-4H3;2*1H.
What are the key properties of 6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide?
6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide has a molecular weight of 334.14 g/mol, XLogP of -7.16, 7 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide is sourced from PubChem (CID 87519961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).