2-ethoxyethyl-diethyl-propylazanium bromide

C11H26BrNO — CID 167445603

IUPAC2-ethoxyethyl-diethyl-propylazanium bromide
SMILESCCC[N+](CC)(CC)CCOCC.[Br-]
InChIInChI=1S/C11H26NO.BrH/c1-5-9-12(6-2,7-3)10-11-13-8-4;/h5-11H2,1-4H3;1H/q+1;/p-1
InChIKeySTKAQNMEKMZWCE-UHFFFAOYSA-M
MW268.24 g/mol
LogP-0.71
Rot. Bonds8

About 2-ethoxyethyl-diethyl-propylazanium bromide

2-ethoxyethyl-diethyl-propylazanium bromide (PubChem CID 167445603) has the molecular formula C11H26BrNO and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-ethoxyethyl-diethyl-propylazanium bromide.

Molecular Properties

Compound Name2-ethoxyethyl-diethyl-propylazanium bromide
PubChem CID167445603
Molecular FormulaC11H26BrNO
Molecular Weight268.24 g/mol
Exact Mass267.12
IUPAC Name2-ethoxyethyl-diethyl-propylazanium bromide
SMILESCCC[N+](CC)(CC)CCOCC.[Br-]
InChIInChI=1S/C11H26NO.BrH/c1-5-9-12(6-2,7-3)10-11-13-8-4;/h5-11H2,1-4H3;1H/q+1;/p-1
InChIKeySTKAQNMEKMZWCE-UHFFFAOYSA-M
XLogP-0.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
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

triethyl-[2-(2-propoxyethoxy)ethyl]azanium
CID 88980838
ethoxymethyl(tripropyl)azanium
CID 87333996
bis(2-ethoxyethyl)-dimethylazanium bromide
CID 167445593
2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium
CID 102439833
2-ethoxyethyl(triethyl)azanium;pentanoate
CID 87070975
2-ethoxyethyl(triethyl)azanium;ethyl carbonate
CID 167445600
tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide
CID 173388150
bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium
CID 134716438
2-(2-octadecoxyethoxy)ethyl-tripropylazanium chloride
CID 88506808
tetrapropylazanium;bromide;hydrobromide
CID 87689277
2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride
CID 121293209
3-(2-ethoxyethoxy)propanoate;tetrapropylazanium
CID 118645065

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl-diethyl-propylazanium bromide?
The IUPAC name of 2-ethoxyethyl-diethyl-propylazanium bromide (CID 167445603) is 2-ethoxyethyl-diethyl-propylazanium bromide.
What is the SMILES notation for 2-ethoxyethyl-diethyl-propylazanium bromide?
The canonical SMILES for 2-ethoxyethyl-diethyl-propylazanium bromide is CCC[N+](CC)(CC)CCOCC.[Br-].
What is the InChIKey of 2-ethoxyethyl-diethyl-propylazanium bromide?
The InChIKey is STKAQNMEKMZWCE-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H26NO.BrH/c1-5-9-12(6-2,7-3)10-11-13-8-4;/h5-11H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 2-ethoxyethyl-diethyl-propylazanium bromide?
2-ethoxyethyl-diethyl-propylazanium bromide has a molecular weight of 268.24 g/mol, XLogP of -0.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl-diethyl-propylazanium bromide is sourced from PubChem (CID 167445603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).