ethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium

C9H22NO2+ — CID 23091880

IUPACethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium
SMILESCC[N+](C)(C)C(C)OC(C)OC
InChIInChI=1S/C9H22NO2/c1-7-10(4,5)8(2)12-9(3)11-6/h8-9H,7H2,1-6H3/q+1
InChIKeyPAXLKELHFKKRRY-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.44
Rot. Bonds5

About ethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium

ethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium (PubChem CID 23091880) has the molecular formula C9H22NO2+ and a molecular weight of 176.28 g/mol. Its IUPAC name is ethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium.

Molecular Properties

Compound Nameethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium
PubChem CID23091880
Molecular FormulaC9H22NO2+
Molecular Weight176.28 g/mol
Exact Mass176.16
IUPAC Nameethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium
SMILESCC[N+](C)(C)C(C)OC(C)OC
InChIInChI=1S/C9H22NO2/c1-7-10(4,5)8(2)12-9(3)11-6/h8-9H,7H2,1-6H3/q+1
InChIKeyPAXLKELHFKKRRY-UHFFFAOYSA-N
XLogP1.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium?
The IUPAC name of ethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium (CID 23091880) is ethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium.
What is the SMILES notation for ethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium?
The canonical SMILES for ethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium is CC[N+](C)(C)C(C)OC(C)OC.
What is the InChIKey of ethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium?
The InChIKey is PAXLKELHFKKRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO2/c1-7-10(4,5)8(2)12-9(3)11-6/h8-9H,7H2,1-6H3/q+1.
What are the key properties of ethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium?
ethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium has a molecular weight of 176.28 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium is sourced from PubChem (CID 23091880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).