sodium;hexadecyl(trimethyl)azanium;hydrochloride

C19H43ClNNa+2 — CID 173057421

IUPACsodium;hexadecyl(trimethyl)azanium;hydrochloride
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.Cl.[Na+]
InChIInChI=1S/C19H42N.ClH.Na/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;;+1
InChIKeyMWCGYMLDZPSBLY-UHFFFAOYSA-N
MW344.00 g/mol
LogP3.60
Rot. Bonds15

About sodium;hexadecyl(trimethyl)azanium;hydrochloride

sodium;hexadecyl(trimethyl)azanium;hydrochloride (PubChem CID 173057421) has the molecular formula C19H43ClNNa+2 and a molecular weight of 344.00 g/mol. Its IUPAC name is sodium;hexadecyl(trimethyl)azanium;hydrochloride.

Molecular Properties

Compound Namesodium;hexadecyl(trimethyl)azanium;hydrochloride
PubChem CID173057421
Molecular FormulaC19H43ClNNa+2
Molecular Weight344.00 g/mol
Exact Mass343.30
IUPAC Namesodium;hexadecyl(trimethyl)azanium;hydrochloride
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.Cl.[Na+]
InChIInChI=1S/C19H42N.ClH.Na/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;;+1
InChIKeyMWCGYMLDZPSBLY-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.00
LogP ≤ 53.60
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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Related Compounds

dodecyl(trimethyl)azanium;chloride;hydrochloride
CID 141284666
hexadecyl(trimethyl)azanium;chloride;hydrochloride
CID 141040318
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
dodecyl(trimethyl)azanium;phosphane;chloride;hydrochloride
CID 174651237
azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride
CID 174798074
azane;trimethyl(tetradecyl)azanium;bromide;hydrochloride
CID 174902264
bis(trimethyl(octadecyl)azanium) dichloride
CID 139683023
butyl(trimethyl)azanium;trimethyl(octyl)azanium
CID 87103767
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
trimethyl(pentacontyl)azanium bromide
CID 118223247

Frequently Asked Questions

What is the IUPAC name of sodium;hexadecyl(trimethyl)azanium;hydrochloride?
The IUPAC name of sodium;hexadecyl(trimethyl)azanium;hydrochloride (CID 173057421) is sodium;hexadecyl(trimethyl)azanium;hydrochloride.
What is the SMILES notation for sodium;hexadecyl(trimethyl)azanium;hydrochloride?
The canonical SMILES for sodium;hexadecyl(trimethyl)azanium;hydrochloride is CCCCCCCCCCCCCCCC[N+](C)(C)C.Cl.[Na+].
What is the InChIKey of sodium;hexadecyl(trimethyl)azanium;hydrochloride?
The InChIKey is MWCGYMLDZPSBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N.ClH.Na/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;;+1.
What are the key properties of sodium;hexadecyl(trimethyl)azanium;hydrochloride?
sodium;hexadecyl(trimethyl)azanium;hydrochloride has a molecular weight of 344.00 g/mol, XLogP of 3.60, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hexadecyl(trimethyl)azanium;hydrochloride is sourced from PubChem (CID 173057421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).