N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane

C₁₃H₂₆N₂ — CID 145001551

About N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane

N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane (PubChem CID 145001551) has the molecular formula C₁₃H₂₆N₂ and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane.

Molecular Properties

• Compound Name: N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane
• PubChem CID: 145001551
• Molecular Formula: C₁₃H₂₆N₂
• Molecular Weight: 210.36 g/mol
• Exact Mass: 210.21
• IUPAC Name: N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane
• SMILES: CC.CC.[H]/N=C(\C=C)N(C=C)/C=C\CC
• InChI: InChI=1S/C9H14N2.2C2H6/c1-4-7-8-11(6-3)9(10)5-2;2*1-2/h5-8,10H,2-4H2,1H3;2*1-2H3/b8-7-,10-9+
• InChIKey: XYRDZSGUGALWJN-MURMZTFFSA-N
• XLogP: 4.57
• TPSA: 27.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	210.36
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane?

The IUPAC name of N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane (CID 145001551) is N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane.

What is the SMILES notation for N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane?

The canonical SMILES for N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane is CC.CC.[H]/N=C(\C=C)N(C=C)/C=C\CC.

What is the InChIKey of N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane?

The InChIKey is XYRDZSGUGALWJN-MURMZTFFSA-N. The full InChI is InChI=1S/C9H14N2.2C2H6/c1-4-7-8-11(6-3)9(10)5-2;2*1-2/h5-8,10H,2-4H2,1H3;2*1-2H3/b8-7-,10-9+;;.

What are the key properties of N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane?

N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane has a molecular weight of 210.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane is sourced from PubChem (CID 145001551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 145001551 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.