(3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine

C₁₁H₂₀N₂ — CID 155324078

About (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine

(3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine (PubChem CID 155324078) has the molecular formula C₁₁H₂₀N₂ and a molecular weight of 180.29 g/mol. Its IUPAC name is (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine.

Molecular Properties

• Compound Name: (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine
• PubChem CID: 155324078
• Molecular Formula: C₁₁H₂₀N₂
• Molecular Weight: 180.29 g/mol
• Exact Mass: 180.16
• IUPAC Name: (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine
• SMILES: C=NNC(=C)/C=C(/C)CCC(C)C
• InChI: InChI=1S/C11H20N2/c1-9(2)6-7-10(3)8-11(4)13-12-5/h8-9,13H,4-7H2,1-3H3/b10-8-
• InChIKey: GEIXOFFDEMHJLL-NTMALXAHSA-N
• XLogP: 3.09
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.29
LogP ≤ 5	3.09
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 (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine?

The IUPAC name of (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine (CID 155324078) is (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine.

What is the SMILES notation for (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine?

The canonical SMILES for (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine is C=NNC(=C)/C=C(/C)CCC(C)C.

What is the InChIKey of (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine?

The InChIKey is GEIXOFFDEMHJLL-NTMALXAHSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)6-7-10(3)8-11(4)13-12-5/h8-9,13H,4-7H2,1-3H3/b10-8-.

What are the key properties of (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine?

(3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine has a molecular weight of 180.29 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine is sourced from PubChem (CID 155324078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155324078 — identifiers, structure, computed properties (public domain)

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