(2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine

C₁₂H₁₉N₃ — CID 143061470

About (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine

(2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine (PubChem CID 143061470) has the molecular formula C₁₂H₁₉N₃ and a molecular weight of 205.30 g/mol. Its IUPAC name is (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine.

Molecular Properties

• Compound Name: (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine
• PubChem CID: 143061470
• Molecular Formula: C₁₂H₁₉N₃
• Molecular Weight: 205.30 g/mol
• Exact Mass: 205.16
• IUPAC Name: (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine
• SMILES: [H]/N=C(\C=C(\C)N)C(=C)C=CCN=C(C)C
• InChI: InChI=1S/C12H19N3/c1-9(2)15-7-5-6-10(3)12(14)8-11(4)13/h5-6,8,14H,3,7,13H2,1-2,4H3/b6-5?,11-8-,14-12+
• InChIKey: SSMGCTHJJDKQNU-MBBXPWHNSA-N
• XLogP: 2.46
• TPSA: 62.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	205.30
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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 (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine?

The IUPAC name of (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine (CID 143061470) is (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine.

What is the SMILES notation for (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine?

The canonical SMILES for (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine is [H]/N=C(\C=C(\C)N)C(=C)C=CCN=C(C)C.

What is the InChIKey of (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine?

The InChIKey is SSMGCTHJJDKQNU-MBBXPWHNSA-N. The full InChI is InChI=1S/C12H19N3/c1-9(2)15-7-5-6-10(3)12(14)8-11(4)13/h5-6,8,14H,3,7,13H2,1-2,4H3/b6-5?,11-8-,14-12+.

What are the key properties of (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine?

(2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine is sourced from PubChem (CID 143061470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143061470 — identifiers, structure, computed properties (public domain)

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