tris(2-hydroxyethyl)-nonylazanium bromide

C15H34BrNO3 — CID 175684736

IUPACtris(2-hydroxyethyl)-nonylazanium bromide
SMILESCCCCCCCCC[N+](CCO)(CCO)CCO.[Br-]
InChIInChI=1S/C15H34NO3.BrH/c1-2-3-4-5-6-7-8-9-16(10-13-17,11-14-18)12-15-19;/h17-19H,2-15H2,1H3;1H/q+1;/p-1
InChIKeyBNXJYFBZSRWHLH-UHFFFAOYSA-M
MW356.35 g/mol
LogP-1.47
Rot. Bonds14

About tris(2-hydroxyethyl)-nonylazanium bromide

tris(2-hydroxyethyl)-nonylazanium bromide (PubChem CID 175684736) has the molecular formula C15H34BrNO3 and a molecular weight of 356.35 g/mol. Its IUPAC name is tris(2-hydroxyethyl)-nonylazanium bromide.

Molecular Properties

Compound Nametris(2-hydroxyethyl)-nonylazanium bromide
PubChem CID175684736
Molecular FormulaC15H34BrNO3
Molecular Weight356.35 g/mol
Exact Mass355.17
IUPAC Nametris(2-hydroxyethyl)-nonylazanium bromide
SMILESCCCCCCCCC[N+](CCO)(CCO)CCO.[Br-]
InChIInChI=1S/C15H34NO3.BrH/c1-2-3-4-5-6-7-8-9-16(10-13-17,11-14-18)12-15-19;/h17-19H,2-15H2,1H3;1H/q+1;/p-1
InChIKeyBNXJYFBZSRWHLH-UHFFFAOYSA-M
XLogP-1.47
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 5-1.47
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

tridodecyl(2-hydroxyethyl)azanium bromide
CID 19925944
dodecyl-[8-[dodecyl-bis(2-hydroxyethyl)azaniumyl]octyl]-bis(2-hydroxyethyl)azanium dibromide
CID 175685284
dodecyl-bis(2-hydroxyethyl)-octylazanium
CID 23220556
hexyl-(2-hydroxyethyl)-dipentylazanium iodide
CID 139955217
tridodecyl(2-hydroxyethyl)azanium chloride
CID 19925946
2-hydroxyethyl(trioctyl)azanium chloride
CID 19925949
decyl-tris(2-hydroxyethyl)azanium chloride
CID 14854094
didecyl-bis(2-hydroxyethyl)azanium hydroxide
CID 118483057
dibutyl-hexyl-(2-hydroxyethyl)azanium
CID 139954818
trihexyl(2-hydroxyethyl)azanium iodide
CID 89439534
diethyl-hexyl-(2-hydroxyethyl)azanium
CID 21128768
tridodecyl(12-hydroxydodecyl)azanium
CID 87522779

Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyethyl)-nonylazanium bromide?
The IUPAC name of tris(2-hydroxyethyl)-nonylazanium bromide (CID 175684736) is tris(2-hydroxyethyl)-nonylazanium bromide.
What is the SMILES notation for tris(2-hydroxyethyl)-nonylazanium bromide?
The canonical SMILES for tris(2-hydroxyethyl)-nonylazanium bromide is CCCCCCCCC[N+](CCO)(CCO)CCO.[Br-].
What is the InChIKey of tris(2-hydroxyethyl)-nonylazanium bromide?
The InChIKey is BNXJYFBZSRWHLH-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H34NO3.BrH/c1-2-3-4-5-6-7-8-9-16(10-13-17,11-14-18)12-15-19;/h17-19H,2-15H2,1H3;1H/q+1;/p-1.
What are the key properties of tris(2-hydroxyethyl)-nonylazanium bromide?
tris(2-hydroxyethyl)-nonylazanium bromide has a molecular weight of 356.35 g/mol, XLogP of -1.47, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethyl)-nonylazanium bromide is sourced from PubChem (CID 175684736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).