(2Z,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine

C23H28N2 — CID 146245607

About (2Z,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine

(2Z,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine (PubChem CID 146245607) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (2Z,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine.

Molecular Properties

• Compound Name: (2Z,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine
• PubChem CID: 146245607
• Molecular Formula: C23H28N2
• Molecular Weight: 332.49 g/mol
• Exact Mass: 332.23
• IUPAC Name: (2Z,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine
• SMILES: C=C/C(=C\C)c1cccc(/C(C)=N/C=C(C(=C)C)/C(=C/C)/C=N/C)c1
• InChI: InChI=1S/C23H28N2/c1-8-19(9-2)22-13-11-12-21(14-22)18(6)25-16-23(17(4)5)20(10-3)15-24-7/h8-16H,1,4H2,2-3,5-7H3/b19-9+,20-10+,23-16+,24-15+,25-18+
• InChIKey: YTYBCNKZNGNWPB-MUKMBUCRSA-N
• XLogP: 6.19
• TPSA: 24.72 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	332.49
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine?

The IUPAC name of (2Z,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine (CID 146245607) is (2Z,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine.

What is the SMILES notation for (2Z,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine?

The canonical SMILES for (2Z,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine is C=C/C(=C\C)c1cccc(/C(C)=N/C=C(C(=C)C)/C(=C/C)/C=N/C)c1.

What is the InChIKey of (2Z,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine?

The InChIKey is YTYBCNKZNGNWPB-MUKMBUCRSA-N. The full InChI is InChI=1S/C23H28N2/c1-8-19(9-2)22-13-11-12-21(14-22)18(6)25-16-23(17(4)5)20(10-3)15-24-7/h8-16H,1,4H2,2-3,5-7H3/b19-9+,20-10+,23-16+,24-15+,25-18+.

What are the key properties of (2Z,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine?

(2Z,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine has a molecular weight of 332.49 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine is sourced from PubChem (CID 146245607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).