(3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine

C₁₀H₁₆N₂ — CID 143841641

About (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine

(3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine (PubChem CID 143841641) has the molecular formula C₁₀H₁₆N₂ and a molecular weight of 164.25 g/mol. Its IUPAC name is (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine.

Molecular Properties

• Compound Name: (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine
• PubChem CID: 143841641
• Molecular Formula: C₁₀H₁₆N₂
• Molecular Weight: 164.25 g/mol
• Exact Mass: 164.13
• IUPAC Name: (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine
• SMILES: C=C/C(C)=C(NN=C)\C(C)=C/C
• InChI: InChI=1S/C10H16N2/c1-6-8(3)10(12-11-5)9(4)7-2/h6-7,12H,1,5H2,2-4H3/b9-7-,10-8+
• InChIKey: VCBZDBVYDPDKKY-FKJILZIQSA-N
• XLogP: 2.62
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	164.25
LogP ≤ 5	2.62
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 (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine?

The IUPAC name of (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine (CID 143841641) is (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine.

What is the SMILES notation for (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine?

The canonical SMILES for (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine is C=C/C(C)=C(NN=C)\C(C)=C/C.

What is the InChIKey of (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine?

The InChIKey is VCBZDBVYDPDKKY-FKJILZIQSA-N. The full InChI is InChI=1S/C10H16N2/c1-6-8(3)10(12-11-5)9(4)7-2/h6-7,12H,1,5H2,2-4H3/b9-7-,10-8+.

What are the key properties of (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine?

(3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine has a molecular weight of 164.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine is sourced from PubChem (CID 143841641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143841641 — identifiers, structure, computed properties (public domain)

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