decyl-heptyl-hexyl-methylazanium

C24H52N+ — CID 87904248

IUPACdecyl-heptyl-hexyl-methylazanium
SMILESCCCCCCCCCC[N+](C)(CCCCCC)CCCCCCC
InChIInChI=1S/C24H52N/c1-5-8-11-14-15-16-18-21-24-25(4,22-19-13-10-7-3)23-20-17-12-9-6-2/h5-24H2,1-4H3/q+1
InChIKeyAQYNQBKTNRNNKF-UHFFFAOYSA-N
MW354.69 g/mol
LogP8.12
Rot. Bonds20

About decyl-heptyl-hexyl-methylazanium

decyl-heptyl-hexyl-methylazanium (PubChem CID 87904248) has the molecular formula C24H52N+ and a molecular weight of 354.69 g/mol. Its IUPAC name is decyl-heptyl-hexyl-methylazanium.

Molecular Properties

Compound Namedecyl-heptyl-hexyl-methylazanium
PubChem CID87904248
Molecular FormulaC24H52N+
Molecular Weight354.69 g/mol
Exact Mass354.41
IUPAC Namedecyl-heptyl-hexyl-methylazanium
SMILESCCCCCCCCCC[N+](C)(CCCCCC)CCCCCCC
InChIInChI=1S/C24H52N/c1-5-8-11-14-15-16-18-21-24-25(4,22-19-13-10-7-3)23-20-17-12-9-6-2/h5-24H2,1-4H3/q+1
InChIKeyAQYNQBKTNRNNKF-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.69
LogP ≤ 58.12
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

heptadecyl-dihexadecyl-methylazanium
CID 174998798
dihexyl-methyl-pentylazanium
CID 23534989
butyl-dodecyl-methyl-octylazanium
CID 71382086
methyl-tri(nonyl)azanium iodide
CID 88652767
methyl-[2-[methyl(dioctyl)azaniumyl]ethyl]-dioctylazanium
CID 19839253
triheptyl(methyl)azanium hydroxide
CID 87534234
trihexyl(methyl)azanium iodide
CID 87252050
azane;methyl-tri(tetradecyl)azanium
CID 172739350
methyl(trioctyl)azanium;hydrochloride
CID 174428259
methyl-tri(undecyl)azanium bromide
CID 15066122
azane;tridodecyl(methyl)azanium;hydrobromide
CID 175325392
methyl(trioctyl)azanium;chloride;hydrochloride
CID 172818491

Frequently Asked Questions

What is the IUPAC name of decyl-heptyl-hexyl-methylazanium?
The IUPAC name of decyl-heptyl-hexyl-methylazanium (CID 87904248) is decyl-heptyl-hexyl-methylazanium.
What is the SMILES notation for decyl-heptyl-hexyl-methylazanium?
The canonical SMILES for decyl-heptyl-hexyl-methylazanium is CCCCCCCCCC[N+](C)(CCCCCC)CCCCCCC.
What is the InChIKey of decyl-heptyl-hexyl-methylazanium?
The InChIKey is AQYNQBKTNRNNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N/c1-5-8-11-14-15-16-18-21-24-25(4,22-19-13-10-7-3)23-20-17-12-9-6-2/h5-24H2,1-4H3/q+1.
What are the key properties of decyl-heptyl-hexyl-methylazanium?
decyl-heptyl-hexyl-methylazanium has a molecular weight of 354.69 g/mol, XLogP of 8.12, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-heptyl-hexyl-methylazanium is sourced from PubChem (CID 87904248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).