dodecyl(trimethyl)azanium chloride

C15H34ClN — CID 8152

IUPACdodecyl(trimethyl)azanium chloride
SMILESCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
InChIKeyDDXLVDQZPFLQMZ-UHFFFAOYSA-M
MW263.90 g/mol
LogP1.62
Rot. Bonds11

About dodecyl(trimethyl)azanium chloride

dodecyl(trimethyl)azanium chloride (PubChem CID 8152) has the molecular formula C15H34ClN and a molecular weight of 263.90 g/mol. Its IUPAC name is dodecyl(trimethyl)azanium chloride.

Molecular Properties

Compound Namedodecyl(trimethyl)azanium chloride
PubChem CID8152
Molecular FormulaC15H34ClN
Molecular Weight263.90 g/mol
Exact Mass263.24
IUPAC Namedodecyl(trimethyl)azanium chloride
SMILESCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
InChIKeyDDXLVDQZPFLQMZ-UHFFFAOYSA-M
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.90
LogP ≤ 51.62
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 dodecyl(trimethyl)azanium chloride?
The IUPAC name of dodecyl(trimethyl)azanium chloride (CID 8152) is dodecyl(trimethyl)azanium chloride.
What is the SMILES notation for dodecyl(trimethyl)azanium chloride?
The canonical SMILES for dodecyl(trimethyl)azanium chloride is CCCCCCCCCCCC[N+](C)(C)C.[Cl-].
What is the InChIKey of dodecyl(trimethyl)azanium chloride?
The InChIKey is DDXLVDQZPFLQMZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1.
What are the key properties of dodecyl(trimethyl)azanium chloride?
dodecyl(trimethyl)azanium chloride has a molecular weight of 263.90 g/mol, XLogP of 1.62, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(trimethyl)azanium chloride is sourced from PubChem (CID 8152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).