6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide

C19H44BrN2+ — CID 102191630

IUPAC6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide
SMILESCCCCCCCCC[N+](C)(C)CCCCCC[NH+](C)C.[Br-]
InChIInChI=1S/C19H43N2.BrH/c1-6-7-8-9-10-12-15-18-21(4,5)19-16-13-11-14-17-20(2)3;/h6-19H2,1-5H3;1H/q+1;
InChIKeyPNIGCWNRQVJZSA-UHFFFAOYSA-N
MW380.48 g/mol
LogP0.52
Rot. Bonds15

About 6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide

6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide (PubChem CID 102191630) has the molecular formula C19H44BrN2+ and a molecular weight of 380.48 g/mol. Its IUPAC name is 6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide.

Molecular Properties

Compound Name6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide
PubChem CID102191630
Molecular FormulaC19H44BrN2+
Molecular Weight380.48 g/mol
Exact Mass379.27
IUPAC Name6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide
SMILESCCCCCCCCC[N+](C)(C)CCCCCC[NH+](C)C.[Br-]
InChIInChI=1S/C19H43N2.BrH/c1-6-7-8-9-10-12-15-18-21(4,5)19-16-13-11-14-17-20(2)3;/h6-19H2,1-5H3;1H/q+1;
InChIKeyPNIGCWNRQVJZSA-UHFFFAOYSA-N
XLogP0.52
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 50.52
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
dimethyl(tridecyl)azanium bromide
CID 87747637
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium dibromide
CID 154726412
dimethyl(octacosyl)azanium bromide
CID 140977947
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium dibromide
CID 12958279
azanium;dimethyl-di(tetradecyl)azanium;dibromide
CID 172853989
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

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide?
The IUPAC name of 6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide (CID 102191630) is 6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide.
What is the SMILES notation for 6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide?
The canonical SMILES for 6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide is CCCCCCCCC[N+](C)(C)CCCCCC[NH+](C)C.[Br-].
What is the InChIKey of 6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide?
The InChIKey is PNIGCWNRQVJZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N2.BrH/c1-6-7-8-9-10-12-15-18-21(4,5)19-16-13-11-14-17-20(2)3;/h6-19H2,1-5H3;1H/q+1;.
What are the key properties of 6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide?
6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide has a molecular weight of 380.48 g/mol, XLogP of 0.52, 15 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylazaniumyl)hexyl-dimethyl-nonylazanium bromide is sourced from PubChem (CID 102191630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).