(3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide

C₁₄H₂₀N₆ — CID 144632252

About (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide

(3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide (PubChem CID 144632252) has the molecular formula C₁₄H₂₀N₆ and a molecular weight of 272.36 g/mol. Its IUPAC name is (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide.

Molecular Properties

• Compound Name: (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide
• PubChem CID: 144632252
• Molecular Formula: C₁₄H₂₀N₆
• Molecular Weight: 272.36 g/mol
• Exact Mass: 272.17
• IUPAC Name: (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide
• SMILES: C=C/C=C\C(=N/C)C(=N\N)\N=N\CC(=C/C)/N=C/C=C
• InChI: InChI=1S/C14H20N6/c1-5-8-9-13(16-4)14(19-15)20-18-11-12(7-3)17-10-6-2/h5-10H,1-2,11,15H2,3-4H3/b9-8-,12-7-,16-13+,17-10+,19-14-,20-18+
• InChIKey: MTWZDFYCXQWQKA-WLOVEEKGSA-N
• XLogP: 2.68
• TPSA: 87.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	272.36
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide?

The IUPAC name of (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide (CID 144632252) is (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide.

What is the SMILES notation for (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide?

The canonical SMILES for (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide is C=C/C=C\C(=N/C)C(=N\N)\N=N\CC(=C/C)/N=C/C=C.

What is the InChIKey of (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide?

The InChIKey is MTWZDFYCXQWQKA-WLOVEEKGSA-N. The full InChI is InChI=1S/C14H20N6/c1-5-8-9-13(16-4)14(19-15)20-18-11-12(7-3)17-10-6-2/h5-10H,1-2,11,15H2,3-4H3/b9-8-,12-7-,16-13+,17-10+,19-14-,20-18+.

What are the key properties of (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide?

(3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide has a molecular weight of 272.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-N'-amino-2-methylimino-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]iminohexa-3,5-dienimidamide is sourced from PubChem (CID 144632252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144632252 — identifiers, structure, computed properties (public domain)

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