decyl-methyl-dipropylazanium bromide

C17H38BrN — CID 127262908

IUPACdecyl-methyl-dipropylazanium bromide
SMILESCCCCCCCCCC[N+](C)(CCC)CCC.[Br-]
InChIInChI=1S/C17H38N.BrH/c1-5-8-9-10-11-12-13-14-17-18(4,15-6-2)16-7-3;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKeyQZNADJGUCLBLMZ-UHFFFAOYSA-M
MW336.40 g/mol
LogP2.40
Rot. Bonds13

About decyl-methyl-dipropylazanium bromide

decyl-methyl-dipropylazanium bromide (PubChem CID 127262908) has the molecular formula C17H38BrN and a molecular weight of 336.40 g/mol. Its IUPAC name is decyl-methyl-dipropylazanium bromide.

Molecular Properties

Compound Namedecyl-methyl-dipropylazanium bromide
PubChem CID127262908
Molecular FormulaC17H38BrN
Molecular Weight336.40 g/mol
Exact Mass335.22
IUPAC Namedecyl-methyl-dipropylazanium bromide
SMILESCCCCCCCCCC[N+](C)(CCC)CCC.[Br-]
InChIInChI=1S/C17H38N.BrH/c1-5-8-9-10-11-12-13-14-17-18(4,15-6-2)16-7-3;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKeyQZNADJGUCLBLMZ-UHFFFAOYSA-M
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
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

methyl-tri(undecyl)azanium bromide
CID 15066122
heptadecyl-dihexadecyl-methylazanium
CID 174998798
dihexyl-methyl-pentylazanium
CID 23534989
decyl-heptyl-hexyl-methylazanium
CID 87904248
methyl-[2-[methyl(dioctyl)azaniumyl]ethyl]-dioctylazanium
CID 19839253
methyl-tri(nonyl)azanium iodide
CID 88652767
triheptyl(methyl)azanium hydroxide
CID 87534234
trihexyl(methyl)azanium iodide
CID 87252050
butyl-dodecyl-methyl-octylazanium
CID 71382086
methyl(trioctyl)azanium;hydrochloride
CID 174428259
azane;methyl-tri(tetradecyl)azanium
CID 172739350
azane;tridodecyl(methyl)azanium;hydrobromide
CID 175325392

Frequently Asked Questions

What is the IUPAC name of decyl-methyl-dipropylazanium bromide?
The IUPAC name of decyl-methyl-dipropylazanium bromide (CID 127262908) is decyl-methyl-dipropylazanium bromide.
What is the SMILES notation for decyl-methyl-dipropylazanium bromide?
The canonical SMILES for decyl-methyl-dipropylazanium bromide is CCCCCCCCCC[N+](C)(CCC)CCC.[Br-].
What is the InChIKey of decyl-methyl-dipropylazanium bromide?
The InChIKey is QZNADJGUCLBLMZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H38N.BrH/c1-5-8-9-10-11-12-13-14-17-18(4,15-6-2)16-7-3;/h5-17H2,1-4H3;1H/q+1;/p-1.
What are the key properties of decyl-methyl-dipropylazanium bromide?
decyl-methyl-dipropylazanium bromide has a molecular weight of 336.40 g/mol, XLogP of 2.40, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-methyl-dipropylazanium bromide is sourced from PubChem (CID 127262908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).