trimethyl(2-prop-2-enoxyethyl)azanium

C8H18NO+ — CID 2317160

IUPACtrimethyl(2-prop-2-enoxyethyl)azanium
SMILESC=CCOCC[N+](C)(C)C
InChIInChI=1S/C8H18NO/c1-5-7-10-8-6-9(2,3)4/h5H,1,6-8H2,2-4H3/q+1
InChIKeyRBJMGOJUIRIVKD-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.90
Rot. Bonds5

About trimethyl(2-prop-2-enoxyethyl)azanium

trimethyl(2-prop-2-enoxyethyl)azanium (PubChem CID 2317160) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is trimethyl(2-prop-2-enoxyethyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-prop-2-enoxyethyl)azanium
PubChem CID2317160
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Nametrimethyl(2-prop-2-enoxyethyl)azanium
SMILESC=CCOCC[N+](C)(C)C
InChIInChI=1S/C8H18NO/c1-5-7-10-8-6-9(2,3)4/h5H,1,6-8H2,2-4H3/q+1
InChIKeyRBJMGOJUIRIVKD-UHFFFAOYSA-N
XLogP0.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl(2-prop-2-enoxyethyl)azanium?
The IUPAC name of trimethyl(2-prop-2-enoxyethyl)azanium (CID 2317160) is trimethyl(2-prop-2-enoxyethyl)azanium.
What is the SMILES notation for trimethyl(2-prop-2-enoxyethyl)azanium?
The canonical SMILES for trimethyl(2-prop-2-enoxyethyl)azanium is C=CCOCC[N+](C)(C)C.
What is the InChIKey of trimethyl(2-prop-2-enoxyethyl)azanium?
The InChIKey is RBJMGOJUIRIVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO/c1-5-7-10-8-6-9(2,3)4/h5H,1,6-8H2,2-4H3/q+1.
What are the key properties of trimethyl(2-prop-2-enoxyethyl)azanium?
trimethyl(2-prop-2-enoxyethyl)azanium has a molecular weight of 144.24 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-prop-2-enoxyethyl)azanium is sourced from PubChem (CID 2317160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).