1-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine

C18H21N — CID 156544140

IUPAC1-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine
SMILESCC/C=C(\N=C(/C)C1=CC=CCC1)c1ccccc1
InChIInChI=1S/C18H21N/c1-3-10-18(17-13-8-5-9-14-17)19-15(2)16-11-6-4-7-12-16/h4-6,8-11,13-14H,3,7,12H2,1-2H3/b18-10-,19-15+
InChIKeyAKMNWNZGTRFOQK-MJOUMNEMSA-N
MW251.37 g/mol
LogP5.17
Rot. Bonds4

About 1-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine

1-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine (PubChem CID 156544140) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine
PubChem CID156544140
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name1-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine
SMILESCC/C=C(\N=C(/C)C1=CC=CCC1)c1ccccc1
InChIInChI=1S/C18H21N/c1-3-10-18(17-13-8-5-9-14-17)19-15(2)16-11-6-4-7-12-16/h4-6,8-11,13-14H,3,7,12H2,1-2H3/b18-10-,19-15+
InChIKeyAKMNWNZGTRFOQK-MJOUMNEMSA-N
XLogP5.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.17
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-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine (CID 156544140) is 1-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine is CC/C=C(\N=C(/C)C1=CC=CCC1)c1ccccc1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine?
The InChIKey is AKMNWNZGTRFOQK-MJOUMNEMSA-N. The full InChI is InChI=1S/C18H21N/c1-3-10-18(17-13-8-5-9-14-17)19-15(2)16-11-6-4-7-12-16/h4-6,8-11,13-14H,3,7,12H2,1-2H3/b18-10-,19-15+.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine?
1-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine has a molecular weight of 251.37 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine is sourced from PubChem (CID 156544140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).