(E,4E)-2,3-dimethyl-N'-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)-N-[(4E)-5-methyl-3-methylidene-6-[[(8E)-3-methylideneundeca-1,8,10-trien-4-yl]amino]hepta-1,4,6-trien-2-yl]-4-prop-2-enylidenepent-2-ene-1,5-diamine;ethane;N-[(Z)-prop-1-enyl]propan-2-imine

C46H68N4 — CID 143346719

About (E,4E)-2,3-dimethyl-N'-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)-N-[(4E)-5-methyl-3-methylidene-6-[[(8E)-3-methylideneundeca-1,8,10-trien-4-yl]amino]hepta-1,4,6-trien-2-yl]-4-prop-2-enylidenepent-2-ene-1,5-diamine;ethane;N-[(Z)-prop-1-enyl]propan-2-imine

(E,4E)-2,3-dimethyl-N'-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)-N-[(4E)-5-methyl-3-methylidene-6-[[(8E)-3-methylideneundeca-1,8,10-trien-4-yl]amino]hepta-1,4,6-trien-2-yl]-4-prop-2-enylidenepent-2-ene-1,5-diamine;ethane;N-[(Z)-prop-1-enyl]propan-2-imine (PubChem CID 143346719) has the molecular formula C46H68N4 and a molecular weight of 677.08 g/mol. Its IUPAC name is (E,4E)-2,3-dimethyl-N'-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)-N-[(4E)-5-methyl-3-methylidene-6-[[(8E)-3-methylideneundeca-1,8,10-trien-4-yl]amino]hepta-1,4,6-trien-2-yl]-4-prop-2-enylidenepent-2-ene-1,5-diamine;ethane;N-[(Z)-prop-1-enyl]propan-2-imine.

Molecular Properties

• Compound Name: (E,4E)-2,3-dimethyl-N'-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)-N-[(4E)-5-methyl-3-methylidene-6-[[(8E)-3-methylideneundeca-1,8,10-trien-4-yl]amino]hepta-1,4,6-trien-2-yl]-4-prop-2-enylidenepent-2-ene-1,5-diamine;ethane;N-[(Z)-prop-1-enyl]propan-2-imine
• PubChem CID: 143346719
• Molecular Formula: C46H68N4
• Molecular Weight: 677.08 g/mol
• Exact Mass: 676.54
• IUPAC Name: (E,4E)-2,3-dimethyl-N'-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)-N-[(4E)-5-methyl-3-methylidene-6-[[(8E)-3-methylideneundeca-1,8,10-trien-4-yl]amino]hepta-1,4,6-trien-2-yl]-4-prop-2-enylidenepent-2-ene-1,5-diamine;ethane;N-[(Z)-prop-1-enyl]propan-2-imine
• SMILES: C/C=C\N=C(C)C.C=C/C=C/CCCC(NC(=C)/C(C)=C/C(=C)C(=C)NC/C(C)=C(C)/C(=C\C=C)CNC1=C(C)C(=C)C1=C)C(=C)C=C.CC
• InChI: InChI=1S/C38H51N3.C6H11N.C2H6/c1-14-17-18-19-20-22-37(26(4)16-3)41-35(13)28(6)23-27(5)34(12)39-24-29(7)30(8)36(21-15-2)25-40-38-32(10)31(9)33(38)11;1-4-5-7-6(2)3;1-2/h14-18,21,23,37,39-41H,1-5,9-10,12-13,19-20,22,24-25H2,6-8,11H3;4-5H,1-3H3;1-2H3/b18-17+,28-23+,30-29+,36-21-;5-4-
• InChIKey: FTNFEEYSFAFXJR-AZPKUDTHSA-N
• XLogP: 12.18
• TPSA: 48.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 21
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.08
LogP ≤ 5	12.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E,4E)-2,3-dimethyl-N'-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)-N-[(4E)-5-methyl-3-methylidene-6-[[(8E)-3-methylideneundeca-1,8,10-trien-4-yl]amino]hepta-1,4,6-trien-2-yl]-4-prop-2-enylidenepent-2-ene-1,5-diamine;ethane;N-[(Z)-prop-1-enyl]propan-2-imine?

The IUPAC name of (E,4E)-2,3-dimethyl-N'-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)-N-[(4E)-5-methyl-3-methylidene-6-[[(8E)-3-methylideneundeca-1,8,10-trien-4-yl]amino]hepta-1,4,6-trien-2-yl]-4-prop-2-enylidenepent-2-ene-1,5-diamine;ethane;N-[(Z)-prop-1-enyl]propan-2-imine (CID 143346719) is (E,4E)-2,3-dimethyl-N'-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)-N-[(4E)-5-methyl-3-methylidene-6-[[(8E)-3-methylideneundeca-1,8,10-trien-4-yl]amino]hepta-1,4,6-trien-2-yl]-4-prop-2-enylidenepent-2-ene-1,5-diamine;ethane;N-[(Z)-prop-1-enyl]propan-2-imine.

What is the SMILES notation for (E,4E)-2,3-dimethyl-N'-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)-N-[(4E)-5-methyl-3-methylidene-6-[[(8E)-3-methylideneundeca-1,8,10-trien-4-yl]amino]hepta-1,4,6-trien-2-yl]-4-prop-2-enylidenepent-2-ene-1,5-diamine;ethane;N-[(Z)-prop-1-enyl]propan-2-imine?

The canonical SMILES for (E,4E)-2,3-dimethyl-N'-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)-N-[(4E)-5-methyl-3-methylidene-6-[[(8E)-3-methylideneundeca-1,8,10-trien-4-yl]amino]hepta-1,4,6-trien-2-yl]-4-prop-2-enylidenepent-2-ene-1,5-diamine;ethane;N-[(Z)-prop-1-enyl]propan-2-imine is C/C=C\N=C(C)C.C=C/C=C/CCCC(NC(=C)/C(C)=C/C(=C)C(=C)NC/C(C)=C(C)/C(=C\C=C)CNC1=C(C)C(=C)C1=C)C(=C)C=C.CC.

What is the InChIKey of (E,4E)-2,3-dimethyl-N'-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)-N-[(4E)-5-methyl-3-methylidene-6-[[(8E)-3-methylideneundeca-1,8,10-trien-4-yl]amino]hepta-1,4,6-trien-2-yl]-4-prop-2-enylidenepent-2-ene-1,5-diamine;ethane;N-[(Z)-prop-1-enyl]propan-2-imine?

The InChIKey is FTNFEEYSFAFXJR-AZPKUDTHSA-N. The full InChI is InChI=1S/C38H51N3.C6H11N.C2H6/c1-14-17-18-19-20-22-37(26(4)16-3)41-35(13)28(6)23-27(5)34(12)39-24-29(7)30(8)36(21-15-2)25-40-38-32(10)31(9)33(38)11;1-4-5-7-6(2)3;1-2/h14-18,21,23,37,39-41H,1-5,9-10,12-13,19-20,22,24-25H2,6-8,11H3;4-5H,1-3H3;1-2H3/b18-17+,28-23+,30-29+,36-21-;5-4-;.

What are the key properties of (E,4E)-2,3-dimethyl-N'-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)-N-[(4E)-5-methyl-3-methylidene-6-[[(8E)-3-methylideneundeca-1,8,10-trien-4-yl]amino]hepta-1,4,6-trien-2-yl]-4-prop-2-enylidenepent-2-ene-1,5-diamine;ethane;N-[(Z)-prop-1-enyl]propan-2-imine?

(E,4E)-2,3-dimethyl-N'-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)-N-[(4E)-5-methyl-3-methylidene-6-[[(8E)-3-methylideneundeca-1,8,10-trien-4-yl]amino]hepta-1,4,6-trien-2-yl]-4-prop-2-enylidenepent-2-ene-1,5-diamine;ethane;N-[(Z)-prop-1-enyl]propan-2-imine has a molecular weight of 677.08 g/mol, XLogP of 12.18, 21 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E,4E)-2,3-dimethyl-N'-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)-N-[(4E)-5-methyl-3-methylidene-6-[[(8E)-3-methylideneundeca-1,8,10-trien-4-yl]amino]hepta-1,4,6-trien-2-yl]-4-prop-2-enylidenepent-2-ene-1,5-diamine;ethane;N-[(Z)-prop-1-enyl]propan-2-imine is sourced from PubChem (CID 143346719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).