decyl-tris(2-hydroxyethyl)azanium chloride

C16H36ClNO3 — CID 14854094

IUPACdecyl-tris(2-hydroxyethyl)azanium chloride
SMILESCCCCCCCCCC[N+](CCO)(CCO)CCO.[Cl-]
InChIInChI=1S/C16H36NO3.ClH/c1-2-3-4-5-6-7-8-9-10-17(11-14-18,12-15-19)13-16-20;/h18-20H,2-16H2,1H3;1H/q+1;/p-1
InChIKeyJUZOJXULTWFITC-UHFFFAOYSA-M
MW325.92 g/mol
LogP-1.08
Rot. Bonds15

About decyl-tris(2-hydroxyethyl)azanium chloride

decyl-tris(2-hydroxyethyl)azanium chloride (PubChem CID 14854094) has the molecular formula C16H36ClNO3 and a molecular weight of 325.92 g/mol. Its IUPAC name is decyl-tris(2-hydroxyethyl)azanium chloride.

Molecular Properties

Compound Namedecyl-tris(2-hydroxyethyl)azanium chloride
PubChem CID14854094
Molecular FormulaC16H36ClNO3
Molecular Weight325.92 g/mol
Exact Mass325.24
IUPAC Namedecyl-tris(2-hydroxyethyl)azanium chloride
SMILESCCCCCCCCCC[N+](CCO)(CCO)CCO.[Cl-]
InChIInChI=1S/C16H36NO3.ClH/c1-2-3-4-5-6-7-8-9-10-17(11-14-18,12-15-19)13-16-20;/h18-20H,2-16H2,1H3;1H/q+1;/p-1
InChIKeyJUZOJXULTWFITC-UHFFFAOYSA-M
XLogP-1.08
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.92
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-hydroxyethyl(trioctyl)azanium chloride
CID 19925949
tridodecyl(2-hydroxyethyl)azanium chloride
CID 19925946
dodecyl-bis(2-hydroxyethyl)-octylazanium
CID 23220556
hexyl-(2-hydroxyethyl)-dipentylazanium iodide
CID 139955217
tris(2-hydroxyethyl)-nonylazanium bromide
CID 175684736
dodecyl-[8-[dodecyl-bis(2-hydroxyethyl)azaniumyl]octyl]-bis(2-hydroxyethyl)azanium dibromide
CID 175685284
tridodecyl(2-hydroxyethyl)azanium bromide
CID 19925944
dibutyl-hexyl-(2-hydroxyethyl)azanium
CID 139954818
trihexyl(2-hydroxyethyl)azanium iodide
CID 89439534
didecyl-bis(2-hydroxyethyl)azanium hydroxide
CID 118483057
diethyl-hexyl-(2-hydroxyethyl)azanium
CID 21128768
butyl-hexyl-(3-hydroxypropyl)-pentylazanium chloride
CID 139954430

Frequently Asked Questions

What is the IUPAC name of decyl-tris(2-hydroxyethyl)azanium chloride?
The IUPAC name of decyl-tris(2-hydroxyethyl)azanium chloride (CID 14854094) is decyl-tris(2-hydroxyethyl)azanium chloride.
What is the SMILES notation for decyl-tris(2-hydroxyethyl)azanium chloride?
The canonical SMILES for decyl-tris(2-hydroxyethyl)azanium chloride is CCCCCCCCCC[N+](CCO)(CCO)CCO.[Cl-].
What is the InChIKey of decyl-tris(2-hydroxyethyl)azanium chloride?
The InChIKey is JUZOJXULTWFITC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36NO3.ClH/c1-2-3-4-5-6-7-8-9-10-17(11-14-18,12-15-19)13-16-20;/h18-20H,2-16H2,1H3;1H/q+1;/p-1.
What are the key properties of decyl-tris(2-hydroxyethyl)azanium chloride?
decyl-tris(2-hydroxyethyl)azanium chloride has a molecular weight of 325.92 g/mol, XLogP of -1.08, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-tris(2-hydroxyethyl)azanium chloride is sourced from PubChem (CID 14854094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).