trimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium

C9H20NO2+ — CID 118723725

IUPACtrimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium
SMILESC[C@@H]1OCCO[C@@H]1C[N+](C)(C)C
InChIInChI=1S/C9H20NO2/c1-8-9(7-10(2,3)4)12-6-5-11-8/h8-9H,5-7H2,1-4H3/q+1/t8-,9+/m0/s1
InChIKeyIIKBMJYNDICPJR-DTWKUNHWSA-N
MW174.26 g/mol
LogP0.50
Rot. Bonds2

About trimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium

trimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium (PubChem CID 118723725) has the molecular formula C9H20NO2+ and a molecular weight of 174.26 g/mol. Its IUPAC name is trimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium
PubChem CID118723725
Molecular FormulaC9H20NO2+
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Nametrimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium
SMILESC[C@@H]1OCCO[C@@H]1C[N+](C)(C)C
InChIInChI=1S/C9H20NO2/c1-8-9(7-10(2,3)4)12-6-5-11-8/h8-9H,5-7H2,1-4H3/q+1/t8-,9+/m0/s1
InChIKeyIIKBMJYNDICPJR-DTWKUNHWSA-N
XLogP0.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-fluoroethyl)-3-methyl-1,4-dioxane
CID 59741587
(3R)-2,3-dimethyl-1,4-dioxane
CID 134576356
2-methyl-3-(3,3,3-trifluoropropyl)-1,4-dioxane
CID 59741575
2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 14814457
trimethyl(oxiran-2-ylmethyl)azanium;hydrate
CID 174817905
[(2S,3S,5S)-3-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 102138015
(3-chlorooxiran-2-yl)methyl-trimethylazanium chloride
CID 141264984
trimethyl-[[(2R,5R)-5-methyl-1,4-dioxan-2-yl]methyl]azanium
CID 46227555
[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 9308
trimethyl-[(3-propyloxiran-2-yl)methyl]azanium
CID 22750416
[(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
CID 11066550
[(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 6101943

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium?
The IUPAC name of trimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium (CID 118723725) is trimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium.
What is the SMILES notation for trimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium?
The canonical SMILES for trimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium is C[C@@H]1OCCO[C@@H]1C[N+](C)(C)C.
What is the InChIKey of trimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium?
The InChIKey is IIKBMJYNDICPJR-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H20NO2/c1-8-9(7-10(2,3)4)12-6-5-11-8/h8-9H,5-7H2,1-4H3/q+1/t8-,9+/m0/s1.
What are the key properties of trimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium?
trimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium has a molecular weight of 174.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium is sourced from PubChem (CID 118723725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).