Ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine

C₉H₁₈N₂ — CID 156817521

About Ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine

Ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine (PubChem CID 156817521) has the molecular formula C₉H₁₈N₂ and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine.

Molecular Properties

• Compound Name: Ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine
• PubChem CID: 156817521
• Molecular Formula: C₉H₁₈N₂
• Molecular Weight: 154.26 g/mol
• Exact Mass: 154.15
• IUPAC Name: ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine
• SMILES: C=C/C=C(\CC)NN=C.CC
• InChI: InChI=1S/C7H12N2.C2H6/c1-4-6-7(5-2)9-8-3;1-2/h4,6,9H,1,3,5H2,2H3;1-2H3/b7-6+
• InChIKey: LWJQSBAIZQBZQH-UHDJGPCESA-N
• XLogP: 2.70
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	154.26
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine?

The IUPAC name of Ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine (CID 156817521) is ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine.

What is the SMILES notation for Ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine?

The canonical SMILES for Ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine is C=C/C=C(\CC)NN=C.CC.

What is the InChIKey of Ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine?

The InChIKey is LWJQSBAIZQBZQH-UHDJGPCESA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-4-6-7(5-2)9-8-3;1-2/h4,6,9H,1,3,5H2,2H3;1-2H3/b7-6+;.

What are the key properties of Ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine?

Ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine has a molecular weight of 154.26 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine is sourced from PubChem (CID 156817521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156817521 — identifiers, structure, computed properties (public domain)

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