1,4-dioxane-2-carboximidamide

C5H10N2O2 — CID 65353790

IUPAC1,4-dioxane-2-carboximidamide
SMILES[H]/N=C(\N)C1COCCO1
InChIInChI=1S/C5H10N2O2/c6-5(7)4-3-8-1-2-9-4/h4H,1-3H2,(H3,6,7)
InChIKeyUSOPOAOHIJXOIS-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.66
Rot. Bonds1

About 1,4-dioxane-2-carboximidamide

1,4-dioxane-2-carboximidamide (PubChem CID 65353790) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 1,4-dioxane-2-carboximidamide.

Molecular Properties

Compound Name1,4-dioxane-2-carboximidamide
PubChem CID65353790
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name1,4-dioxane-2-carboximidamide
SMILES[H]/N=C(\N)C1COCCO1
InChIInChI=1S/C5H10N2O2/c6-5(7)4-3-8-1-2-9-4/h4H,1-3H2,(H3,6,7)
InChIKeyUSOPOAOHIJXOIS-UHFFFAOYSA-N
XLogP-0.66
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane-2-carboximidamide?
The IUPAC name of 1,4-dioxane-2-carboximidamide (CID 65353790) is 1,4-dioxane-2-carboximidamide.
What is the SMILES notation for 1,4-dioxane-2-carboximidamide?
The canonical SMILES for 1,4-dioxane-2-carboximidamide is [H]/N=C(\N)C1COCCO1.
What is the InChIKey of 1,4-dioxane-2-carboximidamide?
The InChIKey is USOPOAOHIJXOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c6-5(7)4-3-8-1-2-9-4/h4H,1-3H2,(H3,6,7).
What are the key properties of 1,4-dioxane-2-carboximidamide?
1,4-dioxane-2-carboximidamide has a molecular weight of 130.15 g/mol, XLogP of -0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane-2-carboximidamide is sourced from PubChem (CID 65353790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).