(E)-N-benzyl-4-phenylbut-3-en-1-imine

C17H17N — CID 101087207

IUPAC(E)-N-benzyl-4-phenylbut-3-en-1-imine
SMILESC(=C/c1ccccc1)\C/C=N/Cc1ccccc1
InChIInChI=1S/C17H17N/c1-3-9-16(10-4-1)11-7-8-14-18-15-17-12-5-2-6-13-17/h1-7,9-14H,8,15H2/b11-7+,18-14+
InChIKeyXVBXLPUISVPOIG-HVLPETPRSA-N
MW235.33 g/mol
LogP4.36
Rot. Bonds5

About (E)-N-benzyl-4-phenylbut-3-en-1-imine

(E)-N-benzyl-4-phenylbut-3-en-1-imine (PubChem CID 101087207) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is (E)-N-benzyl-4-phenylbut-3-en-1-imine.

Molecular Properties

Compound Name(E)-N-benzyl-4-phenylbut-3-en-1-imine
PubChem CID101087207
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name(E)-N-benzyl-4-phenylbut-3-en-1-imine
SMILESC(=C/c1ccccc1)\C/C=N/Cc1ccccc1
InChIInChI=1S/C17H17N/c1-3-9-16(10-4-1)11-7-8-14-18-15-17-12-5-2-6-13-17/h1-7,9-14H,8,15H2/b11-7+,18-14+
InChIKeyXVBXLPUISVPOIG-HVLPETPRSA-N
XLogP4.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
(E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine
CID 68513071
(E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine
CID 10661739
N-benzyl-3-methylbutan-1-imine
CID 11457986
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
[(E)-1-deuterio-4-phenylbut-3-enyl]benzene
CID 10375808
[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene
CID 142095527
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
N-benzyldecan-1-imine
CID 11276634
benzene;but-1-enylbenzene
CID 157481332

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-4-phenylbut-3-en-1-imine?
The IUPAC name of (E)-N-benzyl-4-phenylbut-3-en-1-imine (CID 101087207) is (E)-N-benzyl-4-phenylbut-3-en-1-imine.
What is the SMILES notation for (E)-N-benzyl-4-phenylbut-3-en-1-imine?
The canonical SMILES for (E)-N-benzyl-4-phenylbut-3-en-1-imine is C(=C/c1ccccc1)\C/C=N/Cc1ccccc1.
What is the InChIKey of (E)-N-benzyl-4-phenylbut-3-en-1-imine?
The InChIKey is XVBXLPUISVPOIG-HVLPETPRSA-N. The full InChI is InChI=1S/C17H17N/c1-3-9-16(10-4-1)11-7-8-14-18-15-17-12-5-2-6-13-17/h1-7,9-14H,8,15H2/b11-7+,18-14+.
What are the key properties of (E)-N-benzyl-4-phenylbut-3-en-1-imine?
(E)-N-benzyl-4-phenylbut-3-en-1-imine has a molecular weight of 235.33 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-4-phenylbut-3-en-1-imine is sourced from PubChem (CID 101087207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).