trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium

C8H18NO2+ — CID 20411

IUPACtrimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium
SMILESCC1OCC(C[N+](C)(C)C)O1
InChIInChI=1S/C8H18NO2/c1-7-10-6-8(11-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/q+1
InChIKeyCOSSAOQSSXDIQW-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.45
Rot. Bonds2

About trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium

trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium (PubChem CID 20411) has the molecular formula C8H18NO2+ and a molecular weight of 160.24 g/mol. Its IUPAC name is trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium
PubChem CID20411
Molecular FormulaC8H18NO2+
Molecular Weight160.24 g/mol
Exact Mass160.13
IUPAC Nametrimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium
SMILESCC1OCC(C[N+](C)(C)C)O1
InChIInChI=1S/C8H18NO2/c1-7-10-6-8(11-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/q+1
InChIKeyCOSSAOQSSXDIQW-UHFFFAOYSA-N
XLogP0.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(+)-cis-Dioxolane iodide
CID 657346
1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (1:1)
CID 10939
N,N-dimethyl-1-(2-methyl-1,3-dioxolan-4-yl)methanamine
CID 31028
1,3-Dioxolane-4-methanaminium, N,N,N,2-tetramethyl-, iodide (1:1)
CID 20410
(+)-cis-Dioxolane
CID 657347
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide
CID 14522795
1,3-Dioxolane-4-methylamine, 2,2'-ethylenebis(N,N-dimethyl-
CID 28844
N,N,N-Trimethyl-1,3-dioxolane-4-methanaminium
CID 10940
trimethyl-[[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide
CID 12246114
[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-(2-hydroxyethyl)-dimethylazanium bromide
CID 44386524
trimethyl-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide
CID 44422685
4-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine
CID 4516478

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium?
The IUPAC name of trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium (CID 20411) is trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium.
What is the SMILES notation for trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium?
The canonical SMILES for trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium is CC1OCC(C[N+](C)(C)C)O1.
What is the InChIKey of trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium?
The InChIKey is COSSAOQSSXDIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2/c1-7-10-6-8(11-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/q+1.
What are the key properties of trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium?
trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium has a molecular weight of 160.24 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium is sourced from PubChem (CID 20411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).