formamidomethyl(trimethyl)azanium iodide

C5H13IN2O — CID 12652531

IUPACformamidomethyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)CNC=O.[I-]
InChIInChI=1S/C5H12N2O.HI/c1-7(2,3)4-6-5-8;/h5H,4H2,1-3H3;1H
InChIKeyYMAXNTWFYOHLLR-UHFFFAOYSA-N
MW244.08 g/mol
LogP-3.60
Rot. Bonds3

About formamidomethyl(trimethyl)azanium iodide

formamidomethyl(trimethyl)azanium iodide (PubChem CID 12652531) has the molecular formula C5H13IN2O and a molecular weight of 244.08 g/mol. Its IUPAC name is formamidomethyl(trimethyl)azanium iodide.

Molecular Properties

Compound Nameformamidomethyl(trimethyl)azanium iodide
PubChem CID12652531
Molecular FormulaC5H13IN2O
Molecular Weight244.08 g/mol
Exact Mass244.01
IUPAC Nameformamidomethyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)CNC=O.[I-]
InChIInChI=1S/C5H12N2O.HI/c1-7(2,3)4-6-5-8;/h5H,4H2,1-3H3;1H
InChIKeyYMAXNTWFYOHLLR-UHFFFAOYSA-N
XLogP-3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 5-3.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 formamidomethyl(trimethyl)azanium iodide?
The IUPAC name of formamidomethyl(trimethyl)azanium iodide (CID 12652531) is formamidomethyl(trimethyl)azanium iodide.
What is the SMILES notation for formamidomethyl(trimethyl)azanium iodide?
The canonical SMILES for formamidomethyl(trimethyl)azanium iodide is C[N+](C)(C)CNC=O.[I-].
What is the InChIKey of formamidomethyl(trimethyl)azanium iodide?
The InChIKey is YMAXNTWFYOHLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.HI/c1-7(2,3)4-6-5-8;/h5H,4H2,1-3H3;1H.
What are the key properties of formamidomethyl(trimethyl)azanium iodide?
formamidomethyl(trimethyl)azanium iodide has a molecular weight of 244.08 g/mol, XLogP of -3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formamidomethyl(trimethyl)azanium iodide is sourced from PubChem (CID 12652531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).