1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine

C20H23N — CID 13465423

IUPAC1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine
SMILESCC/C=C(/N=C(\CCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N/c1-3-11-19(17-13-7-5-8-14-17)21-20(12-4-2)18-15-9-6-10-16-18/h5-11,13-16H,3-4,12H2,1-2H3/b19-11+,21-20+
InChIKeyKSBXNNXEARVDQH-INXLYVCPSA-N
MW277.41 g/mol
LogP5.73
Rot. Bonds6

About 1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine

1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine (PubChem CID 13465423) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine.

Molecular Properties

Compound Name1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine
PubChem CID13465423
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine
SMILESCC/C=C(/N=C(\CCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N/c1-3-11-19(17-13-7-5-8-14-17)21-20(12-4-2)18-15-9-6-10-16-18/h5-11,13-16H,3-4,12H2,1-2H3/b19-11+,21-20+
InChIKeyKSBXNNXEARVDQH-INXLYVCPSA-N
XLogP5.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine?
The IUPAC name of 1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine (CID 13465423) is 1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine.
What is the SMILES notation for 1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine?
The canonical SMILES for 1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine is CC/C=C(/N=C(\CCC)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine?
The InChIKey is KSBXNNXEARVDQH-INXLYVCPSA-N. The full InChI is InChI=1S/C20H23N/c1-3-11-19(17-13-7-5-8-14-17)21-20(12-4-2)18-15-9-6-10-16-18/h5-11,13-16H,3-4,12H2,1-2H3/b19-11+,21-20+.
What are the key properties of 1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine?
1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine has a molecular weight of 277.41 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(E)-1-phenylbut-1-enyl]butan-1-imine is sourced from PubChem (CID 13465423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).