ethyl-icosyl-propan-2-ylazanium chloride

C25H54ClN — CID 134501267

IUPACethyl-icosyl-propan-2-ylazanium chloride
SMILESCCCCCCCCCCCCCCCCCCCC[NH+](CC)C(C)C.[Cl-]
InChIInChI=1S/C25H53N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(6-2)25(3)4;/h25H,5-24H2,1-4H3;1H
InChIKeyFQXSBXWLMBOQCK-UHFFFAOYSA-N
MW404.17 g/mol
LogP4.35
Rot. Bonds21

About ethyl-icosyl-propan-2-ylazanium chloride

ethyl-icosyl-propan-2-ylazanium chloride (PubChem CID 134501267) has the molecular formula C25H54ClN and a molecular weight of 404.17 g/mol. Its IUPAC name is ethyl-icosyl-propan-2-ylazanium chloride.

Molecular Properties

Compound Nameethyl-icosyl-propan-2-ylazanium chloride
PubChem CID134501267
Molecular FormulaC25H54ClN
Molecular Weight404.17 g/mol
Exact Mass403.39
IUPAC Nameethyl-icosyl-propan-2-ylazanium chloride
SMILESCCCCCCCCCCCCCCCCCCCC[NH+](CC)C(C)C.[Cl-]
InChIInChI=1S/C25H53N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(6-2)25(3)4;/h25H,5-24H2,1-4H3;1H
InChIKeyFQXSBXWLMBOQCK-UHFFFAOYSA-N
XLogP4.35
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.17
LogP ≤ 54.35
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

ethyl-pentadecyl-propan-2-ylazanium chloride
CID 134501182
ethyl-pentadecyl-propan-2-ylazanium;octadecanoate
CID 134501383
hexadecyl-methyl-propan-2-ylazanium chloride
CID 134500872
methyl-octyl-propan-2-ylazanium chloride
CID 134501319
diethyl(tricosyl)azanium chloride
CID 141276977
ethyl-hexacosyl-methylazanium chloride
CID 87596133
butyl-hexyl-pentylazanium chloride
CID 139955344
docosyl-methyl-tetradecylazanium chloride
CID 141288943
undecane chloride
CID 19736895
ethane;heptane;2-methylpropane
CID 167499531
magnesium;undecane;dichloride
CID 175829094
azanium;dodecane;chloride
CID 172693740

Frequently Asked Questions

What is the IUPAC name of ethyl-icosyl-propan-2-ylazanium chloride?
The IUPAC name of ethyl-icosyl-propan-2-ylazanium chloride (CID 134501267) is ethyl-icosyl-propan-2-ylazanium chloride.
What is the SMILES notation for ethyl-icosyl-propan-2-ylazanium chloride?
The canonical SMILES for ethyl-icosyl-propan-2-ylazanium chloride is CCCCCCCCCCCCCCCCCCCC[NH+](CC)C(C)C.[Cl-].
What is the InChIKey of ethyl-icosyl-propan-2-ylazanium chloride?
The InChIKey is FQXSBXWLMBOQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(6-2)25(3)4;/h25H,5-24H2,1-4H3;1H.
What are the key properties of ethyl-icosyl-propan-2-ylazanium chloride?
ethyl-icosyl-propan-2-ylazanium chloride has a molecular weight of 404.17 g/mol, XLogP of 4.35, 21 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-icosyl-propan-2-ylazanium chloride is sourced from PubChem (CID 134501267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).