didecyl(dimethyl)azanium

C22H48N+ — CID 16958

IUPACdidecyl(dimethyl)azanium
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C22H48N/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3/q+1
InChIKeyJGFDZZLUDWMUQH-UHFFFAOYSA-N
MW326.63 g/mol
LogP7.34
Rot. Bonds18

About didecyl(dimethyl)azanium

didecyl(dimethyl)azanium (PubChem CID 16958) has the molecular formula C22H48N+ and a molecular weight of 326.63 g/mol. Its IUPAC name is didecyl(dimethyl)azanium.

Molecular Properties

Compound Namedidecyl(dimethyl)azanium
PubChem CID16958
Molecular FormulaC22H48N+
Molecular Weight326.63 g/mol
Exact Mass326.38
IUPAC Namedidecyl(dimethyl)azanium
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C22H48N/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3/q+1
InChIKeyJGFDZZLUDWMUQH-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.63
LogP ≤ 57.34
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'}

Analyze didecyl(dimethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of didecyl(dimethyl)azanium?
The IUPAC name of didecyl(dimethyl)azanium (CID 16958) is didecyl(dimethyl)azanium.
What is the SMILES notation for didecyl(dimethyl)azanium?
The canonical SMILES for didecyl(dimethyl)azanium is CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.
What is the InChIKey of didecyl(dimethyl)azanium?
The InChIKey is JGFDZZLUDWMUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3/q+1.
What are the key properties of didecyl(dimethyl)azanium?
didecyl(dimethyl)azanium has a molecular weight of 326.63 g/mol, XLogP of 7.34, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for didecyl(dimethyl)azanium is sourced from PubChem (CID 16958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).