2-(2-methylprop-2-enylimino)ethanamine

C₆H₁₂N₂ — CID 134408507

About 2-(2-methylprop-2-enylimino)ethanamine

2-(2-methylprop-2-enylimino)ethanamine (PubChem CID 134408507) has the molecular formula C₆H₁₂N₂ and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylimino)ethanamine.

Molecular Properties

• Compound Name: 2-(2-methylprop-2-enylimino)ethanamine
• PubChem CID: 134408507
• Molecular Formula: C₆H₁₂N₂
• Molecular Weight: 112.18 g/mol
• Exact Mass: 112.10
• IUPAC Name: 2-(2-methylprop-2-enylimino)ethanamine
• SMILES: C=C(C)C/N=C/CN
• InChI: InChI=1S/C6H12N2/c1-6(2)5-8-4-3-7/h4H,1,3,5,7H2,2H3/b8-4+
• InChIKey: TVJVKWBMQKTZOY-XBXARRHUSA-N
• XLogP: 0.59
• TPSA: 38.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	112.18
LogP ≤ 5	0.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylimino)ethanamine?

The IUPAC name of 2-(2-methylprop-2-enylimino)ethanamine (CID 134408507) is 2-(2-methylprop-2-enylimino)ethanamine.

What is the SMILES notation for 2-(2-methylprop-2-enylimino)ethanamine?

The canonical SMILES for 2-(2-methylprop-2-enylimino)ethanamine is C=C(C)C/N=C/CN.

What is the InChIKey of 2-(2-methylprop-2-enylimino)ethanamine?

The InChIKey is TVJVKWBMQKTZOY-XBXARRHUSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(2)5-8-4-3-7/h4H,1,3,5,7H2,2H3/b8-4+.

What are the key properties of 2-(2-methylprop-2-enylimino)ethanamine?

2-(2-methylprop-2-enylimino)ethanamine has a molecular weight of 112.18 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylprop-2-enylimino)ethanamine is sourced from PubChem (CID 134408507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134408507 — identifiers, structure, computed properties (public domain)

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