triethyl(2-prop-1-enoxyethyl)azanium

C11H24NO+ — CID 123884425

IUPACtriethyl(2-prop-1-enoxyethyl)azanium
SMILESCC=COCC[N+](CC)(CC)CC
InChIInChI=1S/C11H24NO/c1-5-10-13-11-9-12(6-2,7-3)8-4/h5,10H,6-9,11H2,1-4H3/q+1
InChIKeyWDLXCOROZOPHSP-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.41
Rot. Bonds7

About triethyl(2-prop-1-enoxyethyl)azanium

triethyl(2-prop-1-enoxyethyl)azanium (PubChem CID 123884425) has the molecular formula C11H24NO+ and a molecular weight of 186.32 g/mol. Its IUPAC name is triethyl(2-prop-1-enoxyethyl)azanium.

Molecular Properties

Compound Nametriethyl(2-prop-1-enoxyethyl)azanium
PubChem CID123884425
Molecular FormulaC11H24NO+
Molecular Weight186.32 g/mol
Exact Mass186.19
IUPAC Nametriethyl(2-prop-1-enoxyethyl)azanium
SMILESCC=COCC[N+](CC)(CC)CC
InChIInChI=1S/C11H24NO/c1-5-10-13-11-9-12(6-2,7-3)8-4/h5,10H,6-9,11H2,1-4H3/q+1
InChIKeyWDLXCOROZOPHSP-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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(2-prop-1-enoxyethyl)azanium?
The IUPAC name of triethyl(2-prop-1-enoxyethyl)azanium (CID 123884425) is triethyl(2-prop-1-enoxyethyl)azanium.
What is the SMILES notation for triethyl(2-prop-1-enoxyethyl)azanium?
The canonical SMILES for triethyl(2-prop-1-enoxyethyl)azanium is CC=COCC[N+](CC)(CC)CC.
What is the InChIKey of triethyl(2-prop-1-enoxyethyl)azanium?
The InChIKey is WDLXCOROZOPHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO/c1-5-10-13-11-9-12(6-2,7-3)8-4/h5,10H,6-9,11H2,1-4H3/q+1.
What are the key properties of triethyl(2-prop-1-enoxyethyl)azanium?
triethyl(2-prop-1-enoxyethyl)azanium has a molecular weight of 186.32 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2-prop-1-enoxyethyl)azanium is sourced from PubChem (CID 123884425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).