1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane

C20H29NO — CID 154689264

IUPAC1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane
SMILESC=C/N=C(\C)c1ccc(OC2=CCCC=C2)cc1.CC.CC
InChIInChI=1S/C16H17NO.2C2H6/c1-3-17-13(2)14-9-11-16(12-10-14)18-15-7-5-4-6-8-15;2*1-2/h3,5,7-12H,1,4,6H2,2H3;2*1-2H3/b17-13+;;
InChIKeyPHEPAOCUCYQWMK-ZEIDDFDZSA-N
MW299.46 g/mol
LogP6.30
Rot. Bonds4

About 1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane

1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane (PubChem CID 154689264) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane.

Molecular Properties

Compound Name1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane
PubChem CID154689264
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane
SMILESC=C/N=C(\C)c1ccc(OC2=CCCC=C2)cc1.CC.CC
InChIInChI=1S/C16H17NO.2C2H6/c1-3-17-13(2)14-9-11-16(12-10-14)18-15-7-5-4-6-8-15;2*1-2/h3,5,7-12H,1,4,6H2,2H3;2*1-2H3/b17-13+;;
InChIKeyPHEPAOCUCYQWMK-ZEIDDFDZSA-N
XLogP6.30
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane?
The IUPAC name of 1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane (CID 154689264) is 1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane.
What is the SMILES notation for 1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane?
The canonical SMILES for 1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane is C=C/N=C(\C)c1ccc(OC2=CCCC=C2)cc1.CC.CC.
What is the InChIKey of 1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane?
The InChIKey is PHEPAOCUCYQWMK-ZEIDDFDZSA-N. The full InChI is InChI=1S/C16H17NO.2C2H6/c1-3-17-13(2)14-9-11-16(12-10-14)18-15-7-5-4-6-8-15;2*1-2/h3,5,7-12H,1,4,6H2,2H3;2*1-2H3/b17-13+;;.
What are the key properties of 1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane?
1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane has a molecular weight of 299.46 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane is sourced from PubChem (CID 154689264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).