4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide

C₁₃H₂₅IN₄O₃ — CID 120661307

About 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide

4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide (PubChem CID 120661307) has the molecular formula C₁₃H₂₅IN₄O₃ and a molecular weight of 412.27 g/mol. Its IUPAC name is 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide.

Molecular Properties

• Compound Name: 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide
• PubChem CID: 120661307
• Molecular Formula: C₁₃H₂₅IN₄O₃
• Molecular Weight: 412.27 g/mol
• Exact Mass: 412.10
• IUPAC Name: 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide
• SMILES: CC1CN(/C(N)=N/CC2(C(N)=O)CCOCC2)CCO1.I
• InChI: InChI=1S/C13H24N4O3.HI/c1-10-8-17(4-7-20-10)12(15)16-9-13(11(14)18)2-5-19-6-3-13;/h10H,2-9H2,1H3,(H2,14,18)(H2,15,16);1H
• InChIKey: DWFYEPZYAKTFKE-UHFFFAOYSA-N
• XLogP: -0.08
• TPSA: 103.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.27
LogP ≤ 5	-0.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide?

The IUPAC name of 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide (CID 120661307) is 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide.

What is the SMILES notation for 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide?

The canonical SMILES for 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide is CC1CN(/C(N)=N/CC2(C(N)=O)CCOCC2)CCO1.I.

What is the InChIKey of 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide?

The InChIKey is DWFYEPZYAKTFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3.HI/c1-10-8-17(4-7-20-10)12(15)16-9-13(11(14)18)2-5-19-6-3-13;/h10H,2-9H2,1H3,(H2,14,18)(H2,15,16);1H.

What are the key properties of 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide?

4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide has a molecular weight of 412.27 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide is sourced from PubChem (CID 120661307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 120661307 — identifiers, structure, computed properties (public domain)

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