azane;dodecyl(triethyl)azanium;hydrochloride

C18H44ClN2+ — CID 174746836

IUPACazane;dodecyl(triethyl)azanium;hydrochloride
SMILESCCCCCCCCCCCC[N+](CC)(CC)CC.Cl.N
InChIInChI=1S/C18H40N.ClH.H3N/c1-5-9-10-11-12-13-14-15-16-17-18-19(6-2,7-3)8-4;;/h5-18H2,1-4H3;1H;1H3/q+1;;
InChIKeyKZLHDUSQUWMLLS-UHFFFAOYSA-N
MW324.02 g/mol
LogP6.37
Rot. Bonds14

About azane;dodecyl(triethyl)azanium;hydrochloride

azane;dodecyl(triethyl)azanium;hydrochloride (PubChem CID 174746836) has the molecular formula C18H44ClN2+ and a molecular weight of 324.02 g/mol. Its IUPAC name is azane;dodecyl(triethyl)azanium;hydrochloride.

Molecular Properties

Compound Nameazane;dodecyl(triethyl)azanium;hydrochloride
PubChem CID174746836
Molecular FormulaC18H44ClN2+
Molecular Weight324.02 g/mol
Exact Mass323.32
IUPAC Nameazane;dodecyl(triethyl)azanium;hydrochloride
SMILESCCCCCCCCCCCC[N+](CC)(CC)CC.Cl.N
InChIInChI=1S/C18H40N.ClH.H3N/c1-5-9-10-11-12-13-14-15-16-17-18-19(6-2,7-3)8-4;;/h5-18H2,1-4H3;1H;1H3/q+1;;
InChIKeyKZLHDUSQUWMLLS-UHFFFAOYSA-N
XLogP6.37
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.02
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

triethyl(tetradecyl)azanium
CID 28911
triethyl(hexadecyl)azanium iodide
CID 18466277
triethyl(tetradecyl)azanium chloride
CID 15664048
triethyl(tetracosyl)azanium bromide
CID 153322859
triethyl(icosyl)azanium chloride
CID 141198165
triethyl(tetradecyl)azanium iodide
CID 87777336
triethyl(tridecyl)azanium bromide
CID 14647396
docosyl(triethyl)azanium bromide
CID 71358281
docosyl(triethyl)azanium chloride
CID 42638705
triethyl(octyl)azanium hydroxide
CID 23496315
dodecyl-[8-[dodecyl(diethyl)azaniumyl]octyl]-diethylazanium
CID 102081750
diethyl-di(pentadecyl)azanium
CID 14009104

Frequently Asked Questions

What is the IUPAC name of azane;dodecyl(triethyl)azanium;hydrochloride?
The IUPAC name of azane;dodecyl(triethyl)azanium;hydrochloride (CID 174746836) is azane;dodecyl(triethyl)azanium;hydrochloride.
What is the SMILES notation for azane;dodecyl(triethyl)azanium;hydrochloride?
The canonical SMILES for azane;dodecyl(triethyl)azanium;hydrochloride is CCCCCCCCCCCC[N+](CC)(CC)CC.Cl.N.
What is the InChIKey of azane;dodecyl(triethyl)azanium;hydrochloride?
The InChIKey is KZLHDUSQUWMLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N.ClH.H3N/c1-5-9-10-11-12-13-14-15-16-17-18-19(6-2,7-3)8-4;;/h5-18H2,1-4H3;1H;1H3/q+1;;.
What are the key properties of azane;dodecyl(triethyl)azanium;hydrochloride?
azane;dodecyl(triethyl)azanium;hydrochloride has a molecular weight of 324.02 g/mol, XLogP of 6.37, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dodecyl(triethyl)azanium;hydrochloride is sourced from PubChem (CID 174746836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).