diethyl-hexyl-(2-hydroxyethyl)azanium

C12H28NO+ — CID 21128768

IUPACdiethyl-hexyl-(2-hydroxyethyl)azanium
SMILESCCCCCC[N+](CC)(CC)CCO
InChIInChI=1S/C12H28NO/c1-4-7-8-9-10-13(5-2,6-3)11-12-14/h14H,4-12H2,1-3H3/q+1
InChIKeyFBNPBTWOAKFTQV-UHFFFAOYSA-N
MW202.36 g/mol
LogP2.42
Rot. Bonds9

About diethyl-hexyl-(2-hydroxyethyl)azanium

diethyl-hexyl-(2-hydroxyethyl)azanium (PubChem CID 21128768) has the molecular formula C12H28NO+ and a molecular weight of 202.36 g/mol. Its IUPAC name is diethyl-hexyl-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namediethyl-hexyl-(2-hydroxyethyl)azanium
PubChem CID21128768
Molecular FormulaC12H28NO+
Molecular Weight202.36 g/mol
Exact Mass202.22
IUPAC Namediethyl-hexyl-(2-hydroxyethyl)azanium
SMILESCCCCCC[N+](CC)(CC)CCO
InChIInChI=1S/C12H28NO/c1-4-7-8-9-10-13(5-2,6-3)11-12-14/h14H,4-12H2,1-3H3/q+1
InChIKeyFBNPBTWOAKFTQV-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 52.42
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

dodecyl-bis(2-hydroxyethyl)-octylazanium
CID 23220556
hexyl-(2-hydroxyethyl)-dipentylazanium iodide
CID 139955217
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
trihexyl(2-hydroxyethyl)azanium iodide
CID 89439534
didecyl-bis(2-hydroxyethyl)azanium hydroxide
CID 118483057
dibutyl-hexyl-(2-hydroxyethyl)azanium
CID 139954818
dodecyl-[8-[dodecyl(diethyl)azaniumyl]octyl]-diethylazanium
CID 102081750

Frequently Asked Questions

What is the IUPAC name of diethyl-hexyl-(2-hydroxyethyl)azanium?
The IUPAC name of diethyl-hexyl-(2-hydroxyethyl)azanium (CID 21128768) is diethyl-hexyl-(2-hydroxyethyl)azanium.
What is the SMILES notation for diethyl-hexyl-(2-hydroxyethyl)azanium?
The canonical SMILES for diethyl-hexyl-(2-hydroxyethyl)azanium is CCCCCC[N+](CC)(CC)CCO.
What is the InChIKey of diethyl-hexyl-(2-hydroxyethyl)azanium?
The InChIKey is FBNPBTWOAKFTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO/c1-4-7-8-9-10-13(5-2,6-3)11-12-14/h14H,4-12H2,1-3H3/q+1.
What are the key properties of diethyl-hexyl-(2-hydroxyethyl)azanium?
diethyl-hexyl-(2-hydroxyethyl)azanium has a molecular weight of 202.36 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-hexyl-(2-hydroxyethyl)azanium is sourced from PubChem (CID 21128768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).