diethyl(tricosyl)azanium chloride

C27H58ClN — CID 141276977

IUPACdiethyl(tricosyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCCCCCCC[NH+](CC)CC.[Cl-]
InChIInChI=1S/C27H57N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(5-2)6-3;/h4-27H2,1-3H3;1H
InChIKeyDWCSNHJUDWGRDM-UHFFFAOYSA-N
MW432.22 g/mol
LogP5.13
Rot. Bonds24

About diethyl(tricosyl)azanium chloride

diethyl(tricosyl)azanium chloride (PubChem CID 141276977) has the molecular formula C27H58ClN and a molecular weight of 432.22 g/mol. Its IUPAC name is diethyl(tricosyl)azanium chloride.

Molecular Properties

Compound Namediethyl(tricosyl)azanium chloride
PubChem CID141276977
Molecular FormulaC27H58ClN
Molecular Weight432.22 g/mol
Exact Mass431.43
IUPAC Namediethyl(tricosyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCCCCCCC[NH+](CC)CC.[Cl-]
InChIInChI=1S/C27H57N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(5-2)6-3;/h4-27H2,1-3H3;1H
InChIKeyDWCSNHJUDWGRDM-UHFFFAOYSA-N
XLogP5.13
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.22
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl-hexyl-pentylazanium chloride
CID 139955344
tridodecylazanium iodide
CID 23216258
trihexylazanium bromide
CID 54105866
trioctylazanium hydroxide
CID 22253318
dibutyl(octadecyl)azanium
CID 18405855
tripentylazanium
CID 6993016
(Z)-but-2-enedioate;bis(diethyl(hexyl)azanium)
CID 139746589
ethyl-hexacosyl-methylazanium chloride
CID 87596133
undecane chloride
CID 19736895
docosyl-methyl-tetradecylazanium chloride
CID 141288943
azanium;dodecane;chloride
CID 172693740
magnesium;undecane;dichloride
CID 175829094

Frequently Asked Questions

What is the IUPAC name of diethyl(tricosyl)azanium chloride?
The IUPAC name of diethyl(tricosyl)azanium chloride (CID 141276977) is diethyl(tricosyl)azanium chloride.
What is the SMILES notation for diethyl(tricosyl)azanium chloride?
The canonical SMILES for diethyl(tricosyl)azanium chloride is CCCCCCCCCCCCCCCCCCCCCCC[NH+](CC)CC.[Cl-].
What is the InChIKey of diethyl(tricosyl)azanium chloride?
The InChIKey is DWCSNHJUDWGRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(5-2)6-3;/h4-27H2,1-3H3;1H.
What are the key properties of diethyl(tricosyl)azanium chloride?
diethyl(tricosyl)azanium chloride has a molecular weight of 432.22 g/mol, XLogP of 5.13, 24 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(tricosyl)azanium chloride is sourced from PubChem (CID 141276977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).