decyl-dimethyl-tetradecylazanium

C26H56N+ — CID 13075680

IUPACdecyl-dimethyl-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C26H56N/c1-5-7-9-11-13-15-16-17-18-20-22-24-26-27(3,4)25-23-21-19-14-12-10-8-6-2/h5-26H2,1-4H3/q+1
InChIKeyOQUVWFIKPIVFNX-UHFFFAOYSA-N
MW382.74 g/mol
LogP8.90
Rot. Bonds22

About decyl-dimethyl-tetradecylazanium

decyl-dimethyl-tetradecylazanium (PubChem CID 13075680) has the molecular formula C26H56N+ and a molecular weight of 382.74 g/mol. Its IUPAC name is decyl-dimethyl-tetradecylazanium.

Molecular Properties

Compound Namedecyl-dimethyl-tetradecylazanium
PubChem CID13075680
Molecular FormulaC26H56N+
Molecular Weight382.74 g/mol
Exact Mass382.44
IUPAC Namedecyl-dimethyl-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C26H56N/c1-5-7-9-11-13-15-16-17-18-20-22-24-26-27(3,4)25-23-21-19-14-12-10-8-6-2/h5-26H2,1-4H3/q+1
InChIKeyOQUVWFIKPIVFNX-UHFFFAOYSA-N
XLogP8.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.74
LogP ≤ 58.90
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-hexadecyl-dimethylazanium
CID 102585787
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-dimethyl-tetradecylazanium?
The IUPAC name of decyl-dimethyl-tetradecylazanium (CID 13075680) is decyl-dimethyl-tetradecylazanium.
What is the SMILES notation for decyl-dimethyl-tetradecylazanium?
The canonical SMILES for decyl-dimethyl-tetradecylazanium is CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCC.
What is the InChIKey of decyl-dimethyl-tetradecylazanium?
The InChIKey is OQUVWFIKPIVFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N/c1-5-7-9-11-13-15-16-17-18-20-22-24-26-27(3,4)25-23-21-19-14-12-10-8-6-2/h5-26H2,1-4H3/q+1.
What are the key properties of decyl-dimethyl-tetradecylazanium?
decyl-dimethyl-tetradecylazanium has a molecular weight of 382.74 g/mol, XLogP of 8.90, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-dimethyl-tetradecylazanium is sourced from PubChem (CID 13075680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).