triethyl(11-hydroxyundecyl)azanium bromide

C17H38BrNO — CID 71366854

IUPACtriethyl(11-hydroxyundecyl)azanium bromide
SMILESCC[N+](CC)(CC)CCCCCCCCCCCO.[Br-]
InChIInChI=1S/C17H38NO.BrH/c1-4-18(5-2,6-3)16-14-12-10-8-7-9-11-13-15-17-19;/h19H,4-17H2,1-3H3;1H/q+1;/p-1
InChIKeyZWWWMRHAXFBDJN-UHFFFAOYSA-M
MW352.40 g/mol
LogP1.37
Rot. Bonds14

About triethyl(11-hydroxyundecyl)azanium bromide

triethyl(11-hydroxyundecyl)azanium bromide (PubChem CID 71366854) has the molecular formula C17H38BrNO and a molecular weight of 352.40 g/mol. Its IUPAC name is triethyl(11-hydroxyundecyl)azanium bromide.

Molecular Properties

Compound Nametriethyl(11-hydroxyundecyl)azanium bromide
PubChem CID71366854
Molecular FormulaC17H38BrNO
Molecular Weight352.40 g/mol
Exact Mass351.21
IUPAC Nametriethyl(11-hydroxyundecyl)azanium bromide
SMILESCC[N+](CC)(CC)CCCCCCCCCCCO.[Br-]
InChIInChI=1S/C17H38NO.BrH/c1-4-18(5-2,6-3)16-14-12-10-8-7-9-11-13-15-17-19;/h19H,4-17H2,1-3H3;1H/q+1;/p-1
InChIKeyZWWWMRHAXFBDJN-UHFFFAOYSA-M
XLogP1.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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(12-hydroxydodecyl)azanium
CID 87522779
trihexyl(4-hydroxybutyl)azanium
CID 139954036
tris(4-hydroxybutyl)-octylazanium
CID 175345336
triethyl-[15-(triethylazaniumyl)pentadecyl]azanium diiodide
CID 24840909
tributyl(10-hydroxydecyl)azanium
CID 86017062
trihexyl(4-hydroxybutyl)azanium iodide
CID 139954035
triethyl(tridecyl)azanium bromide
CID 14647396
triethyl(tetracosyl)azanium bromide
CID 153322859
diethyl-bis(3-hydroxypropyl)azanium hydroxide
CID 22731865
docosyl(triethyl)azanium bromide
CID 71358281
tetrakis(4-hydroxybutyl)azanium
CID 19093141
diethyl-hexyl-(2-hydroxyethyl)azanium
CID 21128768

Frequently Asked Questions

What is the IUPAC name of triethyl(11-hydroxyundecyl)azanium bromide?
The IUPAC name of triethyl(11-hydroxyundecyl)azanium bromide (CID 71366854) is triethyl(11-hydroxyundecyl)azanium bromide.
What is the SMILES notation for triethyl(11-hydroxyundecyl)azanium bromide?
The canonical SMILES for triethyl(11-hydroxyundecyl)azanium bromide is CC[N+](CC)(CC)CCCCCCCCCCCO.[Br-].
What is the InChIKey of triethyl(11-hydroxyundecyl)azanium bromide?
The InChIKey is ZWWWMRHAXFBDJN-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H38NO.BrH/c1-4-18(5-2,6-3)16-14-12-10-8-7-9-11-13-15-17-19;/h19H,4-17H2,1-3H3;1H/q+1;/p-1.
What are the key properties of triethyl(11-hydroxyundecyl)azanium bromide?
triethyl(11-hydroxyundecyl)azanium bromide has a molecular weight of 352.40 g/mol, XLogP of 1.37, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(11-hydroxyundecyl)azanium bromide is sourced from PubChem (CID 71366854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).