2-(1,3-dioxolan-2-yl)-N-iodoethanamine

C5H10INO2 — CID 143150513

IUPAC2-(1,3-dioxolan-2-yl)-N-iodoethanamine
SMILESINCCC1OCCO1
InChIInChI=1S/C5H10INO2/c6-7-2-1-5-8-3-4-9-5/h5,7H,1-4H2
InChIKeyFYHCAWUBLXJPOS-UHFFFAOYSA-N
MW243.04 g/mol
LogP0.69
Rot. Bonds3

About 2-(1,3-dioxolan-2-yl)-N-iodoethanamine

2-(1,3-dioxolan-2-yl)-N-iodoethanamine (PubChem CID 143150513) has the molecular formula C5H10INO2 and a molecular weight of 243.04 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-N-iodoethanamine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-N-iodoethanamine
PubChem CID143150513
Molecular FormulaC5H10INO2
Molecular Weight243.04 g/mol
Exact Mass242.98
IUPAC Name2-(1,3-dioxolan-2-yl)-N-iodoethanamine
SMILESINCCC1OCCO1
InChIInChI=1S/C5H10INO2/c6-7-2-1-5-8-3-4-9-5/h5,7H,1-4H2
InChIKeyFYHCAWUBLXJPOS-UHFFFAOYSA-N
XLogP0.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxolan-2-yl)-N-iodoethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-N-iodoethanamine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-N-iodoethanamine (CID 143150513) is 2-(1,3-dioxolan-2-yl)-N-iodoethanamine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-N-iodoethanamine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-N-iodoethanamine is INCCC1OCCO1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-N-iodoethanamine?
The InChIKey is FYHCAWUBLXJPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO2/c6-7-2-1-5-8-3-4-9-5/h5,7H,1-4H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-N-iodoethanamine?
2-(1,3-dioxolan-2-yl)-N-iodoethanamine has a molecular weight of 243.04 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-N-iodoethanamine is sourced from PubChem (CID 143150513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).