1-iodo-1,3-diazinane

C4H9IN2 — CID 88802069

IUPAC1-iodo-1,3-diazinane
SMILESIN1CCCNC1
InChIInChI=1S/C4H9IN2/c5-7-3-1-2-6-4-7/h6H,1-4H2
InChIKeyHLGWQXSZHACBGX-UHFFFAOYSA-N
MW212.03 g/mol
LogP0.59
Rot. Bonds

About 1-iodo-1,3-diazinane

1-iodo-1,3-diazinane (PubChem CID 88802069) has the molecular formula C4H9IN2 and a molecular weight of 212.03 g/mol. Its IUPAC name is 1-iodo-1,3-diazinane.

Molecular Properties

Compound Name1-iodo-1,3-diazinane
PubChem CID88802069
Molecular FormulaC4H9IN2
Molecular Weight212.03 g/mol
Exact Mass211.98
IUPAC Name1-iodo-1,3-diazinane
SMILESIN1CCCNC1
InChIInChI=1S/C4H9IN2/c5-7-3-1-2-6-4-7/h6H,1-4H2
InChIKeyHLGWQXSZHACBGX-UHFFFAOYSA-N
XLogP0.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 50.59
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-iodo-1,3-diazinane?
The IUPAC name of 1-iodo-1,3-diazinane (CID 88802069) is 1-iodo-1,3-diazinane.
What is the SMILES notation for 1-iodo-1,3-diazinane?
The canonical SMILES for 1-iodo-1,3-diazinane is IN1CCCNC1.
What is the InChIKey of 1-iodo-1,3-diazinane?
The InChIKey is HLGWQXSZHACBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IN2/c5-7-3-1-2-6-4-7/h6H,1-4H2.
What are the key properties of 1-iodo-1,3-diazinane?
1-iodo-1,3-diazinane has a molecular weight of 212.03 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-1,3-diazinane is sourced from PubChem (CID 88802069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).