decyl-hexadecyl-dimethylazanium

C28H60N+ — CID 102585787

IUPACdecyl-hexadecyl-dimethylazanium
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C28H60N/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-29(3,4)27-25-23-21-14-12-10-8-6-2/h5-28H2,1-4H3/q+1
InChIKeyABXGBBYNSAWKRF-UHFFFAOYSA-N
MW410.80 g/mol
LogP9.68
Rot. Bonds24

About decyl-hexadecyl-dimethylazanium

decyl-hexadecyl-dimethylazanium (PubChem CID 102585787) has the molecular formula C28H60N+ and a molecular weight of 410.80 g/mol. Its IUPAC name is decyl-hexadecyl-dimethylazanium.

Molecular Properties

Compound Namedecyl-hexadecyl-dimethylazanium
PubChem CID102585787
Molecular FormulaC28H60N+
Molecular Weight410.80 g/mol
Exact Mass410.47
IUPAC Namedecyl-hexadecyl-dimethylazanium
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C28H60N/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-29(3,4)27-25-23-21-14-12-10-8-6-2/h5-28H2,1-4H3/q+1
InChIKeyABXGBBYNSAWKRF-UHFFFAOYSA-N
XLogP9.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.80
LogP ≤ 59.68
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

dodecyl-dimethyl-undecylazanium
CID 21491028
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
dimethyl-pentyl-tridecylazanium
CID 160884159
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
heptyl-[4-[hexadecyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 175704870

Frequently Asked Questions

What is the IUPAC name of decyl-hexadecyl-dimethylazanium?
The IUPAC name of decyl-hexadecyl-dimethylazanium (CID 102585787) is decyl-hexadecyl-dimethylazanium.
What is the SMILES notation for decyl-hexadecyl-dimethylazanium?
The canonical SMILES for decyl-hexadecyl-dimethylazanium is CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCC.
What is the InChIKey of decyl-hexadecyl-dimethylazanium?
The InChIKey is ABXGBBYNSAWKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60N/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-29(3,4)27-25-23-21-14-12-10-8-6-2/h5-28H2,1-4H3/q+1.
What are the key properties of decyl-hexadecyl-dimethylazanium?
decyl-hexadecyl-dimethylazanium has a molecular weight of 410.80 g/mol, XLogP of 9.68, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-hexadecyl-dimethylazanium is sourced from PubChem (CID 102585787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).