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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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).