1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (1:1)

C7H16INO2 — CID 10939

IUPAC1,3-dioxolan-4-ylmethyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)CC1COCO1.[I-]
InChIInChI=1S/C7H16NO2.HI/c1-8(2,3)4-7-5-9-6-10-7;/h7H,4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyHQWAEQCLIWVOMF-UHFFFAOYSA-M
MW273.11 g/mol
LogP—
Rot. Bonds2

About 1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (1:1)

1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (1:1) (PubChem CID 10939) has the molecular formula C7H16INO2 and a molecular weight of 273.11 g/mol. Its IUPAC name is 1,3-dioxolan-4-ylmethyl(trimethyl)azanium iodide.

Molecular Properties

Compound Name1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (1:1)
PubChem CID10939
Molecular FormulaC7H16INO2
Molecular Weight273.11 g/mol
Exact Mass273.02
IUPAC Name1,3-dioxolan-4-ylmethyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)CC1COCO1.[I-]
InChIInChI=1S/C7H16NO2.HI/c1-8(2,3)4-7-5-9-6-10-7;/h7H,4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyHQWAEQCLIWVOMF-UHFFFAOYSA-M
XLogP—
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity109

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-(2-methyl-1,3-dioxolan-4-yl)methanamine
CID 31028
(+)-cis-Dioxolane iodide
CID 657346
1,3-Dioxolane-4-methanaminium, N,N,N,2-tetramethyl-, iodide (1:1)
CID 20410
(+)-cis-Dioxolane
CID 657347
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
trimethyl-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide
CID 44422685
Trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium
CID 20411
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
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine
CID 22308833
((2-Methyl-1,3-dioxolan-4-yl)methyl)trimethylammonium chloride
CID 11971658

Frequently Asked Questions

What is the IUPAC name of 1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (1:1)?
The IUPAC name of 1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (1:1) (CID 10939) is 1,3-dioxolan-4-ylmethyl(trimethyl)azanium iodide.
What is the SMILES notation for 1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (1:1)?
The canonical SMILES for 1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (1:1) is C[N+](C)(C)CC1COCO1.[I-].
What is the InChIKey of 1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (1:1)?
The InChIKey is HQWAEQCLIWVOMF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16NO2.HI/c1-8(2,3)4-7-5-9-6-10-7;/h7H,4-6H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (1:1)?
1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (1:1) has a molecular weight of 273.11 g/mol, XLogP of not available, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (1:1) is sourced from PubChem (CID 10939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).