trimethyl(2-prop-1-en-2-yloxyethyl)azanium

C8H18NO+ — CID 10154313

IUPACtrimethyl(2-prop-1-en-2-yloxyethyl)azanium
SMILESC=C(C)OCC[N+](C)(C)C
InChIInChI=1S/C8H18NO/c1-8(2)10-7-6-9(3,4)5/h1,6-7H2,2-5H3/q+1
InChIKeyHYFSJSNJLTVQRJ-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.24
Rot. Bonds4

About trimethyl(2-prop-1-en-2-yloxyethyl)azanium

trimethyl(2-prop-1-en-2-yloxyethyl)azanium (PubChem CID 10154313) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is trimethyl(2-prop-1-en-2-yloxyethyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-prop-1-en-2-yloxyethyl)azanium
PubChem CID10154313
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Nametrimethyl(2-prop-1-en-2-yloxyethyl)azanium
SMILESC=C(C)OCC[N+](C)(C)C
InChIInChI=1S/C8H18NO/c1-8(2)10-7-6-9(3,4)5/h1,6-7H2,2-5H3/q+1
InChIKeyHYFSJSNJLTVQRJ-UHFFFAOYSA-N
XLogP1.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-1-en-2-yloxyethyl)azanium?
The IUPAC name of trimethyl(2-prop-1-en-2-yloxyethyl)azanium (CID 10154313) is trimethyl(2-prop-1-en-2-yloxyethyl)azanium.
What is the SMILES notation for trimethyl(2-prop-1-en-2-yloxyethyl)azanium?
The canonical SMILES for trimethyl(2-prop-1-en-2-yloxyethyl)azanium is C=C(C)OCC[N+](C)(C)C.
What is the InChIKey of trimethyl(2-prop-1-en-2-yloxyethyl)azanium?
The InChIKey is HYFSJSNJLTVQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO/c1-8(2)10-7-6-9(3,4)5/h1,6-7H2,2-5H3/q+1.
What are the key properties of trimethyl(2-prop-1-en-2-yloxyethyl)azanium?
trimethyl(2-prop-1-en-2-yloxyethyl)azanium has a molecular weight of 144.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-prop-1-en-2-yloxyethyl)azanium is sourced from PubChem (CID 10154313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).