triethyl(4-methoxybutyl)azanium

C11H26NO+ — CID 20728503

IUPACtriethyl(4-methoxybutyl)azanium
SMILESCC[N+](CC)(CC)CCCCOC
InChIInChI=1S/C11H26NO/c1-5-12(6-2,7-3)10-8-9-11-13-4/h5-11H2,1-4H3/q+1
InChIKeyBYQOUXOWDLCIRK-UHFFFAOYSA-N
MW188.33 g/mol
LogP2.29
Rot. Bonds8

About triethyl(4-methoxybutyl)azanium

triethyl(4-methoxybutyl)azanium (PubChem CID 20728503) has the molecular formula C11H26NO+ and a molecular weight of 188.33 g/mol. Its IUPAC name is triethyl(4-methoxybutyl)azanium.

Molecular Properties

Compound Nametriethyl(4-methoxybutyl)azanium
PubChem CID20728503
Molecular FormulaC11H26NO+
Molecular Weight188.33 g/mol
Exact Mass188.20
IUPAC Nametriethyl(4-methoxybutyl)azanium
SMILESCC[N+](CC)(CC)CCCCOC
InChIInChI=1S/C11H26NO/c1-5-12(6-2,7-3)10-8-9-11-13-4/h5-11H2,1-4H3/q+1
InChIKeyBYQOUXOWDLCIRK-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.33
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of triethyl(4-methoxybutyl)azanium?
The IUPAC name of triethyl(4-methoxybutyl)azanium (CID 20728503) is triethyl(4-methoxybutyl)azanium.
What is the SMILES notation for triethyl(4-methoxybutyl)azanium?
The canonical SMILES for triethyl(4-methoxybutyl)azanium is CC[N+](CC)(CC)CCCCOC.
What is the InChIKey of triethyl(4-methoxybutyl)azanium?
The InChIKey is BYQOUXOWDLCIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO/c1-5-12(6-2,7-3)10-8-9-11-13-4/h5-11H2,1-4H3/q+1.
What are the key properties of triethyl(4-methoxybutyl)azanium?
triethyl(4-methoxybutyl)azanium has a molecular weight of 188.33 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(4-methoxybutyl)azanium is sourced from PubChem (CID 20728503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).