N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine

C₁₇H₂₃N — CID 146590131

About N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine

N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine (PubChem CID 146590131) has the molecular formula C₁₇H₂₃N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine.

Molecular Properties

• Compound Name: N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine
• PubChem CID: 146590131
• Molecular Formula: C₁₇H₂₃N
• Molecular Weight: 241.38 g/mol
• Exact Mass: 241.18
• IUPAC Name: N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine
• SMILES: C=C(C)/C=C(/Cc1ccc(CC)cc1)N=C(C)C
• InChI: InChI=1S/C17H23N/c1-6-15-7-9-16(10-8-15)12-17(11-13(2)3)18-14(4)5/h7-11H,2,6,12H2,1,3-5H3/b17-11-
• InChIKey: AGNAAWMAWAMYBZ-BOPFTXTBSA-N
• XLogP: 4.73
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.38
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine?

The IUPAC name of N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine (CID 146590131) is N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine.

What is the SMILES notation for N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine?

The canonical SMILES for N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine is C=C(C)/C=C(/Cc1ccc(CC)cc1)N=C(C)C.

What is the InChIKey of N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine?

The InChIKey is AGNAAWMAWAMYBZ-BOPFTXTBSA-N. The full InChI is InChI=1S/C17H23N/c1-6-15-7-9-16(10-8-15)12-17(11-13(2)3)18-14(4)5/h7-11H,2,6,12H2,1,3-5H3/b17-11-.

What are the key properties of N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine?

N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine has a molecular weight of 241.38 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine is sourced from PubChem (CID 146590131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146590131 — identifiers, structure, computed properties (public domain)

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