trihexyl(2-hydroxyethyl)azanium iodide

C20H44INO — CID 89439534

IUPACtrihexyl(2-hydroxyethyl)azanium iodide
SMILESCCCCCC[N+](CCO)(CCCCCC)CCCCCC.[I-]
InChIInChI=1S/C20H44NO.HI/c1-4-7-10-13-16-21(19-20-22,17-14-11-8-5-2)18-15-12-9-6-3;/h22H,4-20H2,1-3H3;1H/q+1;/p-1
InChIKeyCCBLQTVZVOHRBK-UHFFFAOYSA-M
MW441.48 g/mol
LogP2.54
Rot. Bonds17

About trihexyl(2-hydroxyethyl)azanium iodide

trihexyl(2-hydroxyethyl)azanium iodide (PubChem CID 89439534) has the molecular formula C20H44INO and a molecular weight of 441.48 g/mol. Its IUPAC name is trihexyl(2-hydroxyethyl)azanium iodide.

Molecular Properties

Compound Nametrihexyl(2-hydroxyethyl)azanium iodide
PubChem CID89439534
Molecular FormulaC20H44INO
Molecular Weight441.48 g/mol
Exact Mass441.25
IUPAC Nametrihexyl(2-hydroxyethyl)azanium iodide
SMILESCCCCCC[N+](CCO)(CCCCCC)CCCCCC.[I-]
InChIInChI=1S/C20H44NO.HI/c1-4-7-10-13-16-21(19-20-22,17-14-11-8-5-2)18-15-12-9-6-3;/h22H,4-20H2,1-3H3;1H/q+1;/p-1
InChIKeyCCBLQTVZVOHRBK-UHFFFAOYSA-M
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

hexyl-(2-hydroxyethyl)-dipentylazanium iodide
CID 139955217
dodecyl-bis(2-hydroxyethyl)-octylazanium
CID 23220556
tris(2-hydroxyethyl)-nonylazanium bromide
CID 175684736
2-hydroxyethyl(trioctyl)azanium chloride
CID 19925949
decyl-tris(2-hydroxyethyl)azanium chloride
CID 14854094
tridodecyl(2-hydroxyethyl)azanium bromide
CID 19925944
tridodecyl(2-hydroxyethyl)azanium chloride
CID 19925946
dodecyl-[8-[dodecyl-bis(2-hydroxyethyl)azaniumyl]octyl]-bis(2-hydroxyethyl)azanium dibromide
CID 175685284
didecyl-bis(2-hydroxyethyl)azanium hydroxide
CID 118483057
dibutyl-hexyl-(2-hydroxyethyl)azanium
CID 139954818
diethyl-hexyl-(2-hydroxyethyl)azanium
CID 21128768
trihexyl(4-hydroxybutyl)azanium iodide
CID 139954035

Frequently Asked Questions

What is the IUPAC name of trihexyl(2-hydroxyethyl)azanium iodide?
The IUPAC name of trihexyl(2-hydroxyethyl)azanium iodide (CID 89439534) is trihexyl(2-hydroxyethyl)azanium iodide.
What is the SMILES notation for trihexyl(2-hydroxyethyl)azanium iodide?
The canonical SMILES for trihexyl(2-hydroxyethyl)azanium iodide is CCCCCC[N+](CCO)(CCCCCC)CCCCCC.[I-].
What is the InChIKey of trihexyl(2-hydroxyethyl)azanium iodide?
The InChIKey is CCBLQTVZVOHRBK-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H44NO.HI/c1-4-7-10-13-16-21(19-20-22,17-14-11-8-5-2)18-15-12-9-6-3;/h22H,4-20H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trihexyl(2-hydroxyethyl)azanium iodide?
trihexyl(2-hydroxyethyl)azanium iodide has a molecular weight of 441.48 g/mol, XLogP of 2.54, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl(2-hydroxyethyl)azanium iodide is sourced from PubChem (CID 89439534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).