hexadecyl(trimethyl)azanium chloride

C19H42ClN — CID 8154

IUPAChexadecyl(trimethyl)azanium chloride
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
InChIKeyWOWHHFRSBJGXCM-UHFFFAOYSA-M
MW320.01 g/mol
LogP3.18
Rot. Bonds15

About hexadecyl(trimethyl)azanium chloride

hexadecyl(trimethyl)azanium chloride (PubChem CID 8154) has the molecular formula C19H42ClN and a molecular weight of 320.01 g/mol. Its IUPAC name is hexadecyl(trimethyl)azanium chloride.

Molecular Properties

Compound Namehexadecyl(trimethyl)azanium chloride
PubChem CID8154
Molecular FormulaC19H42ClN
Molecular Weight320.01 g/mol
Exact Mass319.30
IUPAC Namehexadecyl(trimethyl)azanium chloride
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
InChIKeyWOWHHFRSBJGXCM-UHFFFAOYSA-M
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.01
LogP ≤ 53.18
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 hexadecyl(trimethyl)azanium chloride?
The IUPAC name of hexadecyl(trimethyl)azanium chloride (CID 8154) is hexadecyl(trimethyl)azanium chloride.
What is the SMILES notation for hexadecyl(trimethyl)azanium chloride?
The canonical SMILES for hexadecyl(trimethyl)azanium chloride is CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-].
What is the InChIKey of hexadecyl(trimethyl)azanium chloride?
The InChIKey is WOWHHFRSBJGXCM-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1.
What are the key properties of hexadecyl(trimethyl)azanium chloride?
hexadecyl(trimethyl)azanium chloride has a molecular weight of 320.01 g/mol, XLogP of 3.18, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl(trimethyl)azanium chloride is sourced from PubChem (CID 8154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).