N-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine

C20H23N — CID 134842546

IUPACN-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine
SMILESCCC(CC)=C(/N=C(\C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N/c1-4-17(5-2)20(19-14-10-7-11-15-19)21-16(3)18-12-8-6-9-13-18/h6-15H,4-5H2,1-3H3/b21-16+
InChIKeyXNVUPEKWXHUBAP-LTGZKZEYSA-N
MW277.41 g/mol
LogP5.73
Rot. Bonds5

About N-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine

N-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine (PubChem CID 134842546) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine.

Molecular Properties

Compound NameN-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine
PubChem CID134842546
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine
SMILESCCC(CC)=C(/N=C(\C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N/c1-4-17(5-2)20(19-14-10-7-11-15-19)21-16(3)18-12-8-6-9-13-18/h6-15H,4-5H2,1-3H3/b21-16+
InChIKeyXNVUPEKWXHUBAP-LTGZKZEYSA-N
XLogP5.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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 N-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine?
The IUPAC name of N-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine (CID 134842546) is N-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine.
What is the SMILES notation for N-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine?
The canonical SMILES for N-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine is CCC(CC)=C(/N=C(\C)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine?
The InChIKey is XNVUPEKWXHUBAP-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H23N/c1-4-17(5-2)20(19-14-10-7-11-15-19)21-16(3)18-12-8-6-9-13-18/h6-15H,4-5H2,1-3H3/b21-16+.
What are the key properties of N-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine?
N-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine has a molecular weight of 277.41 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-phenylbut-1-enyl)-1-phenylethanimine is sourced from PubChem (CID 134842546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).