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

C8H18ClNO — CID 10154312

IUPACtrimethyl(2-prop-1-en-2-yloxyethyl)azanium chloride
SMILESC=C(C)OCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C8H18NO.ClH/c1-8(2)10-7-6-9(3,4)5;/h1,6-7H2,2-5H3;1H/q+1;/p-1
InChIKeyGZXKIJWSJVGAIH-UHFFFAOYSA-M
MW179.69 g/mol
LogP-1.75
Rot. Bonds4

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

trimethyl(2-prop-1-en-2-yloxyethyl)azanium chloride (PubChem CID 10154312) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is trimethyl(2-prop-1-en-2-yloxyethyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(2-prop-1-en-2-yloxyethyl)azanium chloride
PubChem CID10154312
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Nametrimethyl(2-prop-1-en-2-yloxyethyl)azanium chloride
SMILESC=C(C)OCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C8H18NO.ClH/c1-8(2)10-7-6-9(3,4)5;/h1,6-7H2,2-5H3;1H/q+1;/p-1
InChIKeyGZXKIJWSJVGAIH-UHFFFAOYSA-M
XLogP-1.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 5-1.75
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'}

Analyze trimethyl(2-prop-1-en-2-yloxyethyl)azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-prop-1-en-2-yloxyethyl)azanium chloride?
The IUPAC name of trimethyl(2-prop-1-en-2-yloxyethyl)azanium chloride (CID 10154312) is trimethyl(2-prop-1-en-2-yloxyethyl)azanium chloride.
What is the SMILES notation for trimethyl(2-prop-1-en-2-yloxyethyl)azanium chloride?
The canonical SMILES for trimethyl(2-prop-1-en-2-yloxyethyl)azanium chloride is C=C(C)OCC[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl(2-prop-1-en-2-yloxyethyl)azanium chloride?
The InChIKey is GZXKIJWSJVGAIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18NO.ClH/c1-8(2)10-7-6-9(3,4)5;/h1,6-7H2,2-5H3;1H/q+1;/p-1.
What are the key properties of trimethyl(2-prop-1-en-2-yloxyethyl)azanium chloride?
trimethyl(2-prop-1-en-2-yloxyethyl)azanium chloride has a molecular weight of 179.69 g/mol, XLogP of -1.75, 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 chloride is sourced from PubChem (CID 10154312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).