Ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine

C₉H₁₆N₂ — CID 143106494

About Ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine

Ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine (PubChem CID 143106494) has the molecular formula C₉H₁₆N₂ and a molecular weight of 152.24 g/mol. Its IUPAC name is ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine.

Molecular Properties

• Compound Name: Ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine
• PubChem CID: 143106494
• Molecular Formula: C₉H₁₆N₂
• Molecular Weight: 152.24 g/mol
• Exact Mass: 152.13
• IUPAC Name: ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine
• SMILES: CC.[H]/N=C/C(C=C)=C(\N)C=C
• InChI: InChI=1S/C7H10N2.C2H6/c1-3-6(5-8)7(9)4-2;1-2/h3-5,8H,1-2,9H2;1-2H3/b7-6-,8-5+
• InChIKey: MTORMFIEKBYOIN-LAPANCLDSA-N
• XLogP: 2.25
• TPSA: 49.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	152.24
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine?

The IUPAC name of Ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine (CID 143106494) is ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine.

What is the SMILES notation for Ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine?

The canonical SMILES for Ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine is CC.[H]/N=C/C(C=C)=C(\N)C=C.

What is the InChIKey of Ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine?

The InChIKey is MTORMFIEKBYOIN-LAPANCLDSA-N. The full InChI is InChI=1S/C7H10N2.C2H6/c1-3-6(5-8)7(9)4-2;1-2/h3-5,8H,1-2,9H2;1-2H3/b7-6-,8-5+;.

What are the key properties of Ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine?

Ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine has a molecular weight of 152.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 143106494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143106494 — identifiers, structure, computed properties (public domain)

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