(E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine

C20H24N2O — CID 54610296

IUPAC(E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine
SMILESCCCCCCC(/C=N\N=C\c1ccco1)=C\c1ccccc1
InChIInChI=1S/C20H24N2O/c1-2-3-4-6-12-19(15-18-10-7-5-8-11-18)16-21-22-17-20-13-9-14-23-20/h5,7-11,13-17H,2-4,6,12H2,1H3/b19-15+,21-16-,22-17+
InChIKeyAZLBRXMRKGFPSR-KURQGHKOSA-N
MW308.43 g/mol
LogP5.74
Rot. Bonds9

About (E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine

(E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine (PubChem CID 54610296) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine.

Molecular Properties

Compound Name(E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine
PubChem CID54610296
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine
SMILESCCCCCCC(/C=N\N=C\c1ccco1)=C\c1ccccc1
InChIInChI=1S/C20H24N2O/c1-2-3-4-6-12-19(15-18-10-7-5-8-11-18)16-21-22-17-20-13-9-14-23-20/h5,7-11,13-17H,2-4,6,12H2,1H3/b19-15+,21-16-,22-17+
InChIKeyAZLBRXMRKGFPSR-KURQGHKOSA-N
XLogP5.74
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine?
The IUPAC name of (E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine (CID 54610296) is (E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine.
What is the SMILES notation for (E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine?
The canonical SMILES for (E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine is CCCCCCC(/C=N\N=C\c1ccco1)=C\c1ccccc1.
What is the InChIKey of (E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine?
The InChIKey is AZLBRXMRKGFPSR-KURQGHKOSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-3-4-6-12-19(15-18-10-7-5-8-11-18)16-21-22-17-20-13-9-14-23-20/h5,7-11,13-17H,2-4,6,12H2,1H3/b19-15+,21-16-,22-17+.
What are the key properties of (E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine?
(E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine has a molecular weight of 308.43 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]octan-1-imine is sourced from PubChem (CID 54610296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).