1-phenyl-N-[(E)-1-phenylprop-1-enyl]propan-1-imine

C18H19N — CID 11831823

IUPAC1-phenyl-N-[(E)-1-phenylprop-1-enyl]propan-1-imine
SMILESC/C=C(/N=C(\CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N/c1-3-17(15-11-7-5-8-12-15)19-18(4-2)16-13-9-6-10-14-16/h3,5-14H,4H2,1-2H3/b17-3+,19-18+
InChIKeyKRCPSEJNNFKPBD-XCOPJREOSA-N
MW249.36 g/mol
LogP4.95
Rot. Bonds4

About 1-phenyl-N-[(E)-1-phenylprop-1-enyl]propan-1-imine

1-phenyl-N-[(E)-1-phenylprop-1-enyl]propan-1-imine (PubChem CID 11831823) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-phenyl-N-[(E)-1-phenylprop-1-enyl]propan-1-imine.

Molecular Properties

Compound Name1-phenyl-N-[(E)-1-phenylprop-1-enyl]propan-1-imine
PubChem CID11831823
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name1-phenyl-N-[(E)-1-phenylprop-1-enyl]propan-1-imine
SMILESC/C=C(/N=C(\CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N/c1-3-17(15-11-7-5-8-12-15)19-18(4-2)16-13-9-6-10-14-16/h3,5-14H,4H2,1-2H3/b17-3+,19-18+
InChIKeyKRCPSEJNNFKPBD-XCOPJREOSA-N
XLogP4.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.95
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-phenylprop-1-enyl]propan-1-imine?
The IUPAC name of 1-phenyl-N-[(E)-1-phenylprop-1-enyl]propan-1-imine (CID 11831823) is 1-phenyl-N-[(E)-1-phenylprop-1-enyl]propan-1-imine.
What is the SMILES notation for 1-phenyl-N-[(E)-1-phenylprop-1-enyl]propan-1-imine?
The canonical SMILES for 1-phenyl-N-[(E)-1-phenylprop-1-enyl]propan-1-imine is C/C=C(/N=C(\CC)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(E)-1-phenylprop-1-enyl]propan-1-imine?
The InChIKey is KRCPSEJNNFKPBD-XCOPJREOSA-N. The full InChI is InChI=1S/C18H19N/c1-3-17(15-11-7-5-8-12-15)19-18(4-2)16-13-9-6-10-14-16/h3,5-14H,4H2,1-2H3/b17-3+,19-18+.
What are the key properties of 1-phenyl-N-[(E)-1-phenylprop-1-enyl]propan-1-imine?
1-phenyl-N-[(E)-1-phenylprop-1-enyl]propan-1-imine has a molecular weight of 249.36 g/mol, XLogP of 4.95, 4 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-phenylprop-1-enyl]propan-1-imine is sourced from PubChem (CID 11831823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).