trimethyl(octadecyl)azanium chloride

C21H46ClN — CID 8155

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

About trimethyl(octadecyl)azanium chloride

trimethyl(octadecyl)azanium chloride (PubChem CID 8155) has the molecular formula C21H46ClN and a molecular weight of 348.06 g/mol. Its IUPAC name is trimethyl(octadecyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(octadecyl)azanium chloride
PubChem CID8155
Molecular FormulaC21H46ClN
Molecular Weight348.06 g/mol
Exact Mass347.33
IUPAC Nametrimethyl(octadecyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
InChIKeyVBIIFPGSPJYLRR-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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl(octadecyl)azanium chloride?
The IUPAC name of trimethyl(octadecyl)azanium chloride (CID 8155) is trimethyl(octadecyl)azanium chloride.
What is the SMILES notation for trimethyl(octadecyl)azanium chloride?
The canonical SMILES for trimethyl(octadecyl)azanium chloride is CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl(octadecyl)azanium chloride?
The InChIKey is VBIIFPGSPJYLRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(octadecyl)azanium chloride?
trimethyl(octadecyl)azanium 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 trimethyl(octadecyl)azanium chloride is sourced from PubChem (CID 8155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).