1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide

C₁₁H₂₅IN₄ — CID 111022726

About 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide

1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (PubChem CID 111022726) has the molecular formula C₁₁H₂₅IN₄ and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
• PubChem CID: 111022726
• Molecular Formula: C₁₁H₂₅IN₄
• Molecular Weight: 340.25 g/mol
• Exact Mass: 340.11
• IUPAC Name: 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
• SMILES: C=C(C)C/N=C(\N)NCCN(CC)CC.I
• InChI: InChI=1S/C11H24N4.HI/c1-5-15(6-2)8-7-13-11(12)14-9-10(3)4;/h3,5-9H2,1-2,4H3,(H3,12,13,14);1H
• InChIKey: AYNCLGOISVHGOU-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 53.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.25
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?

The IUPAC name of 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (CID 111022726) is 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.

What is the SMILES notation for 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?

The canonical SMILES for 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is C=C(C)C/N=C(\N)NCCN(CC)CC.I.

What is the InChIKey of 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?

The InChIKey is AYNCLGOISVHGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4.HI/c1-5-15(6-2)8-7-13-11(12)14-9-10(3)4;/h3,5-9H2,1-2,4H3,(H3,12,13,14);1H.

What are the key properties of 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?

1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide has a molecular weight of 340.25 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is sourced from PubChem (CID 111022726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 111022726 — identifiers, structure, computed properties (public domain)

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