decyl-dimethyl-nonylazanium chloride

C21H46ClN — CID 23185420

IUPACdecyl-dimethyl-nonylazanium chloride
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCCC.[Cl-]
InChIInChI=1S/C21H46N.ClH/c1-5-7-9-11-13-15-17-19-21-22(3,4)20-18-16-14-12-10-8-6-2;/h5-21H2,1-4H3;1H/q+1;/p-1
InChIKeyHEIRATKJHRVTJY-UHFFFAOYSA-M
MW348.06 g/mol
LogP3.96
Rot. Bonds17

About decyl-dimethyl-nonylazanium chloride

decyl-dimethyl-nonylazanium chloride (PubChem CID 23185420) has the molecular formula C21H46ClN and a molecular weight of 348.06 g/mol. Its IUPAC name is decyl-dimethyl-nonylazanium chloride.

Molecular Properties

Compound Namedecyl-dimethyl-nonylazanium chloride
PubChem CID23185420
Molecular FormulaC21H46ClN
Molecular Weight348.06 g/mol
Exact Mass347.33
IUPAC Namedecyl-dimethyl-nonylazanium chloride
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCCC.[Cl-]
InChIInChI=1S/C21H46N.ClH/c1-5-7-9-11-13-15-17-19-21-22(3,4)20-18-16-14-12-10-8-6-2;/h5-21H2,1-4H3;1H/q+1;/p-1
InChIKeyHEIRATKJHRVTJY-UHFFFAOYSA-M
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.06
LogP ≤ 53.96
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 decyl-dimethyl-nonylazanium chloride with MolForge

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

Launch Full Analysis

Related Compounds

hexyl-icosyl-dimethylazanium chloride
CID 141083999
decyl-hexyl-dimethylazanium chloride
CID 19369138
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
dodecyl-dimethyl-undecylazanium
CID 21491028
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
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

Frequently Asked Questions

What is the IUPAC name of decyl-dimethyl-nonylazanium chloride?
The IUPAC name of decyl-dimethyl-nonylazanium chloride (CID 23185420) is decyl-dimethyl-nonylazanium chloride.
What is the SMILES notation for decyl-dimethyl-nonylazanium chloride?
The canonical SMILES for decyl-dimethyl-nonylazanium chloride is CCCCCCCCCC[N+](C)(C)CCCCCCCCC.[Cl-].
What is the InChIKey of decyl-dimethyl-nonylazanium chloride?
The InChIKey is HEIRATKJHRVTJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H46N.ClH/c1-5-7-9-11-13-15-17-19-21-22(3,4)20-18-16-14-12-10-8-6-2;/h5-21H2,1-4H3;1H/q+1;/p-1.
What are the key properties of decyl-dimethyl-nonylazanium chloride?
decyl-dimethyl-nonylazanium chloride has a molecular weight of 348.06 g/mol, XLogP of 3.96, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-dimethyl-nonylazanium chloride is sourced from PubChem (CID 23185420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).