20-ethyltetracosyl(dimethyl)azanium chloride

C28H60ClN — CID 87059617

IUPAC20-ethyltetracosyl(dimethyl)azanium chloride
SMILESCCCCC(CC)CCCCCCCCCCCCCCCCCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C28H59N.ClH/c1-5-7-25-28(6-2)26-23-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-24-27-29(3)4;/h28H,5-27H2,1-4H3;1H
InChIKeyKUBXCNQOOIGSML-UHFFFAOYSA-N
MW446.25 g/mol
LogP5.37
Rot. Bonds24

About 20-ethyltetracosyl(dimethyl)azanium chloride

20-ethyltetracosyl(dimethyl)azanium chloride (PubChem CID 87059617) has the molecular formula C28H60ClN and a molecular weight of 446.25 g/mol. Its IUPAC name is 20-ethyltetracosyl(dimethyl)azanium chloride.

Molecular Properties

Compound Name20-ethyltetracosyl(dimethyl)azanium chloride
PubChem CID87059617
Molecular FormulaC28H60ClN
Molecular Weight446.25 g/mol
Exact Mass445.44
IUPAC Name20-ethyltetracosyl(dimethyl)azanium chloride
SMILESCCCCC(CC)CCCCCCCCCCCCCCCCCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C28H59N.ClH/c1-5-7-25-28(6-2)26-23-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-24-27-29(3)4;/h28H,5-27H2,1-4H3;1H
InChIKeyKUBXCNQOOIGSML-UHFFFAOYSA-N
XLogP5.37
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.25
LogP ≤ 55.37
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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Frequently Asked Questions

What is the IUPAC name of 20-ethyltetracosyl(dimethyl)azanium chloride?
The IUPAC name of 20-ethyltetracosyl(dimethyl)azanium chloride (CID 87059617) is 20-ethyltetracosyl(dimethyl)azanium chloride.
What is the SMILES notation for 20-ethyltetracosyl(dimethyl)azanium chloride?
The canonical SMILES for 20-ethyltetracosyl(dimethyl)azanium chloride is CCCCC(CC)CCCCCCCCCCCCCCCCCCC[NH+](C)C.[Cl-].
What is the InChIKey of 20-ethyltetracosyl(dimethyl)azanium chloride?
The InChIKey is KUBXCNQOOIGSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59N.ClH/c1-5-7-25-28(6-2)26-23-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-24-27-29(3)4;/h28H,5-27H2,1-4H3;1H.
What are the key properties of 20-ethyltetracosyl(dimethyl)azanium chloride?
20-ethyltetracosyl(dimethyl)azanium chloride has a molecular weight of 446.25 g/mol, XLogP of 5.37, 24 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 20-ethyltetracosyl(dimethyl)azanium chloride is sourced from PubChem (CID 87059617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).