1,3-dioxolan-4-ylmethyl(trimethyl)azanium

C7H16NO2+ — CID 10940

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IUPAC1,3-dioxolan-4-ylmethyl(trimethyl)azanium
SMILESC[N+](C)(C)CC1COCO1
InChIInChI=1S/C7H16NO2/c1-8(2,3)4-7-5-9-6-10-7/h7H,4-6H2,1-3H3/q+1
InChIKeyHJPHIJVSRJVAGC-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.07
Rot. Bonds2

About 1,3-dioxolan-4-ylmethyl(trimethyl)azanium

1,3-dioxolan-4-ylmethyl(trimethyl)azanium (PubChem CID 10940) has the molecular formula C7H16NO2+ and a molecular weight of 146.21 g/mol. Its IUPAC name is 1,3-dioxolan-4-ylmethyl(trimethyl)azanium.

Molecular Properties

Compound Name1,3-dioxolan-4-ylmethyl(trimethyl)azanium
PubChem CID10940
Molecular FormulaC7H16NO2+
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name1,3-dioxolan-4-ylmethyl(trimethyl)azanium
SMILESC[N+](C)(C)CC1COCO1
InChIInChI=1S/C7H16NO2/c1-8(2,3)4-7-5-9-6-10-7/h7H,4-6H2,1-3H3/q+1
InChIKeyHJPHIJVSRJVAGC-UHFFFAOYSA-N
XLogP0.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.07
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
N,N-dimethyl-1-(2-methyl-1,3-dioxolan-4-yl)methanamine
CID 31028
1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (1:1)
CID 10939
1,3-Dioxolane-4-methanaminium, N,N,N,2-tetramethyl-, iodide (1:1)
CID 20410
(+)-cis-Dioxolane
CID 657347
Trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium
CID 20411
trimethyl-[[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide
CID 12246114
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
1,1'-((4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(N,N-dimethylmethanamine)
CID 12349518
cis-2-Methyl-4-dimethylaminomethyl-1,3-dioxolane methiodide
CID 67174361
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylethynamine
CID 164674961

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-4-ylmethyl(trimethyl)azanium?
The IUPAC name of 1,3-dioxolan-4-ylmethyl(trimethyl)azanium (CID 10940) is 1,3-dioxolan-4-ylmethyl(trimethyl)azanium.
What is the SMILES notation for 1,3-dioxolan-4-ylmethyl(trimethyl)azanium?
The canonical SMILES for 1,3-dioxolan-4-ylmethyl(trimethyl)azanium is C[N+](C)(C)CC1COCO1.
What is the InChIKey of 1,3-dioxolan-4-ylmethyl(trimethyl)azanium?
The InChIKey is HJPHIJVSRJVAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO2/c1-8(2,3)4-7-5-9-6-10-7/h7H,4-6H2,1-3H3/q+1.
What are the key properties of 1,3-dioxolan-4-ylmethyl(trimethyl)azanium?
1,3-dioxolan-4-ylmethyl(trimethyl)azanium has a molecular weight of 146.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-4-ylmethyl(trimethyl)azanium is sourced from PubChem (CID 10940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).