diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium

C14H32NO4+ — CID 90306950

IUPACdiethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium
SMILESCC[N+](C)(CC)CCOCCOCCOCCOC
InChIInChI=1S/C14H32NO4/c1-5-15(3,6-2)7-8-17-11-12-19-14-13-18-10-9-16-4/h5-14H2,1-4H3/q+1
InChIKeyQDUAWRMBADJGIF-UHFFFAOYSA-N
MW278.41 g/mol
LogP1.17
Rot. Bonds14

About diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium

diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium (PubChem CID 90306950) has the molecular formula C14H32NO4+ and a molecular weight of 278.41 g/mol. Its IUPAC name is diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium.

Molecular Properties

Compound Namediethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium
PubChem CID90306950
Molecular FormulaC14H32NO4+
Molecular Weight278.41 g/mol
Exact Mass278.23
IUPAC Namediethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium
SMILESCC[N+](C)(CC)CCOCCOCCOCCOC
InChIInChI=1S/C14H32NO4/c1-5-15(3,6-2)7-8-17-11-12-19-14-13-18-10-9-16-4/h5-14H2,1-4H3/q+1
InChIKeyQDUAWRMBADJGIF-UHFFFAOYSA-N
XLogP1.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium?
The IUPAC name of diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium (CID 90306950) is diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium.
What is the SMILES notation for diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium?
The canonical SMILES for diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium is CC[N+](C)(CC)CCOCCOCCOCCOC.
What is the InChIKey of diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium?
The InChIKey is QDUAWRMBADJGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO4/c1-5-15(3,6-2)7-8-17-11-12-19-14-13-18-10-9-16-4/h5-14H2,1-4H3/q+1.
What are the key properties of diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium?
diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium has a molecular weight of 278.41 g/mol, XLogP of 1.17, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium is sourced from PubChem (CID 90306950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).