N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide

C₁₀H₁₆N₂ — CID 142041082

About N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide

N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide (PubChem CID 142041082) has the molecular formula C₁₀H₁₆N₂ and a molecular weight of 164.25 g/mol. Its IUPAC name is N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide.

Molecular Properties

• Compound Name: N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide
• PubChem CID: 142041082
• Molecular Formula: C₁₀H₁₆N₂
• Molecular Weight: 164.25 g/mol
• Exact Mass: 164.13
• IUPAC Name: N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide
• SMILES: C=C(C)/C(=C\C=C/C)N/C=N/C
• InChI: InChI=1S/C10H16N2/c1-5-6-7-10(9(2)3)12-8-11-4/h5-8H,2H2,1,3-4H3,(H,11,12)/b6-5-,10-7+
• InChIKey: JVAMJKQQOHEPDY-ZZWPSLBBSA-N
• XLogP: 2.27
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	164.25
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide?

The IUPAC name of N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide (CID 142041082) is N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide.

What is the SMILES notation for N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide?

The canonical SMILES for N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide is C=C(C)/C(=C\C=C/C)N/C=N/C.

What is the InChIKey of N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide?

The InChIKey is JVAMJKQQOHEPDY-ZZWPSLBBSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-6-7-10(9(2)3)12-8-11-4/h5-8H,2H2,1,3-4H3,(H,11,12)/b6-5-,10-7+.

What are the key properties of N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide?

N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide is sourced from PubChem (CID 142041082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142041082 — identifiers, structure, computed properties (public domain)

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