(5E,7E)-8-cyclohexyl-5-ethenyl-1-N,4-N,3,3-tetramethylocta-5,7-diene-1,4-diimine

C20H32N2 — CID 155106203

IUPAC(5E,7E)-8-cyclohexyl-5-ethenyl-1-N,4-N,3,3-tetramethylocta-5,7-diene-1,4-diimine
SMILESC=CC(=C\C=C\C1CCCCC1)/C(=N/C)C(C)(C)C/C=N/C
InChIInChI=1S/C20H32N2/c1-6-18(14-10-13-17-11-8-7-9-12-17)19(22-5)20(2,3)15-16-21-4/h6,10,13-14,16-17H,1,7-9,11-12,15H2,2-5H3/b13-10+,18-14+,21-16+,22-19-
InChIKeyPWRCSVXSEPJUNK-QKKSPZOVSA-N
MW300.49 g/mol
LogP5.42
Rot. Bonds7

About (5E,7E)-8-cyclohexyl-5-ethenyl-1-N,4-N,3,3-tetramethylocta-5,7-diene-1,4-diimine

(5E,7E)-8-cyclohexyl-5-ethenyl-1-N,4-N,3,3-tetramethylocta-5,7-diene-1,4-diimine (PubChem CID 155106203) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is (5E,7E)-8-cyclohexyl-5-ethenyl-1-N,4-N,3,3-tetramethylocta-5,7-diene-1,4-diimine.

Molecular Properties

Compound Name(5E,7E)-8-cyclohexyl-5-ethenyl-1-N,4-N,3,3-tetramethylocta-5,7-diene-1,4-diimine
PubChem CID155106203
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name(5E,7E)-8-cyclohexyl-5-ethenyl-1-N,4-N,3,3-tetramethylocta-5,7-diene-1,4-diimine
SMILESC=CC(=C\C=C\C1CCCCC1)/C(=N/C)C(C)(C)C/C=N/C
InChIInChI=1S/C20H32N2/c1-6-18(14-10-13-17-11-8-7-9-12-17)19(22-5)20(2,3)15-16-21-4/h6,10,13-14,16-17H,1,7-9,11-12,15H2,2-5H3/b13-10+,18-14+,21-16+,22-19-
InChIKeyPWRCSVXSEPJUNK-QKKSPZOVSA-N
XLogP5.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E,7E)-8-cyclohexyl-5-ethenyl-1-N,4-N,3,3-tetramethylocta-5,7-diene-1,4-diimine?
The IUPAC name of (5E,7E)-8-cyclohexyl-5-ethenyl-1-N,4-N,3,3-tetramethylocta-5,7-diene-1,4-diimine (CID 155106203) is (5E,7E)-8-cyclohexyl-5-ethenyl-1-N,4-N,3,3-tetramethylocta-5,7-diene-1,4-diimine.
What is the SMILES notation for (5E,7E)-8-cyclohexyl-5-ethenyl-1-N,4-N,3,3-tetramethylocta-5,7-diene-1,4-diimine?
The canonical SMILES for (5E,7E)-8-cyclohexyl-5-ethenyl-1-N,4-N,3,3-tetramethylocta-5,7-diene-1,4-diimine is C=CC(=C\C=C\C1CCCCC1)/C(=N/C)C(C)(C)C/C=N/C.
What is the InChIKey of (5E,7E)-8-cyclohexyl-5-ethenyl-1-N,4-N,3,3-tetramethylocta-5,7-diene-1,4-diimine?
The InChIKey is PWRCSVXSEPJUNK-QKKSPZOVSA-N. The full InChI is InChI=1S/C20H32N2/c1-6-18(14-10-13-17-11-8-7-9-12-17)19(22-5)20(2,3)15-16-21-4/h6,10,13-14,16-17H,1,7-9,11-12,15H2,2-5H3/b13-10+,18-14+,21-16+,22-19-.
What are the key properties of (5E,7E)-8-cyclohexyl-5-ethenyl-1-N,4-N,3,3-tetramethylocta-5,7-diene-1,4-diimine?
(5E,7E)-8-cyclohexyl-5-ethenyl-1-N,4-N,3,3-tetramethylocta-5,7-diene-1,4-diimine has a molecular weight of 300.49 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-8-cyclohexyl-5-ethenyl-1-N,4-N,3,3-tetramethylocta-5,7-diene-1,4-diimine is sourced from PubChem (CID 155106203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).