(1-iodoazetidin-3-yl)methanamine

C4H9IN2 — CID 122596028

IUPAC(1-iodoazetidin-3-yl)methanamine
SMILESNCC1CN(I)C1
InChIInChI=1S/C4H9IN2/c5-7-2-4(1-6)3-7/h4H,1-3,6H2
InChIKeyFRJZNFFTUVSMEN-UHFFFAOYSA-N
MW212.03 g/mol
LogP0.23
Rot. Bonds1

About (1-iodoazetidin-3-yl)methanamine

(1-iodoazetidin-3-yl)methanamine (PubChem CID 122596028) has the molecular formula C4H9IN2 and a molecular weight of 212.03 g/mol. Its IUPAC name is (1-iodoazetidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-iodoazetidin-3-yl)methanamine
PubChem CID122596028
Molecular FormulaC4H9IN2
Molecular Weight212.03 g/mol
Exact Mass211.98
IUPAC Name(1-iodoazetidin-3-yl)methanamine
SMILESNCC1CN(I)C1
InChIInChI=1S/C4H9IN2/c5-7-2-4(1-6)3-7/h4H,1-3,6H2
InChIKeyFRJZNFFTUVSMEN-UHFFFAOYSA-N
XLogP0.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-iodoazetidin-3-yl)methanamine?
The IUPAC name of (1-iodoazetidin-3-yl)methanamine (CID 122596028) is (1-iodoazetidin-3-yl)methanamine.
What is the SMILES notation for (1-iodoazetidin-3-yl)methanamine?
The canonical SMILES for (1-iodoazetidin-3-yl)methanamine is NCC1CN(I)C1.
What is the InChIKey of (1-iodoazetidin-3-yl)methanamine?
The InChIKey is FRJZNFFTUVSMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IN2/c5-7-2-4(1-6)3-7/h4H,1-3,6H2.
What are the key properties of (1-iodoazetidin-3-yl)methanamine?
(1-iodoazetidin-3-yl)methanamine has a molecular weight of 212.03 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodoazetidin-3-yl)methanamine is sourced from PubChem (CID 122596028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).