1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine

C20H23N — CID 139780766

IUPAC1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine
SMILESC=CCCc1ccc(/C=N/c2ccc(CCC)cc2)cc1
InChIInChI=1S/C20H23N/c1-3-5-7-18-8-10-19(11-9-18)16-21-20-14-12-17(6-4-2)13-15-20/h3,8-16H,1,4-7H2,2H3/b21-16+
InChIKeyKUXVGFPJZFPGSC-LTGZKZEYSA-N
MW277.41 g/mol
LogP5.51
Rot. Bonds7

About 1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine

1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine (PubChem CID 139780766) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine
PubChem CID139780766
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine
SMILESC=CCCc1ccc(/C=N/c2ccc(CCC)cc2)cc1
InChIInChI=1S/C20H23N/c1-3-5-7-18-8-10-19(11-9-18)16-21-20-14-12-17(6-4-2)13-15-20/h3,8-16H,1,4-7H2,2H3/b21-16+
InChIKeyKUXVGFPJZFPGSC-LTGZKZEYSA-N
XLogP5.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine
CID 67639601
1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 139780589
1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine
CID 139780637
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine
CID 139780617
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine
CID 67895495
1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene
CID 19780599
N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54210930
1-but-3-enyl-4-hexylbenzene
CID 91077567
1-(4-pentoxyphenyl)-N-[4-[8-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]octyl]phenyl]methanimine
CID 101084662
N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine
CID 71367718

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine?
The IUPAC name of 1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine (CID 139780766) is 1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine.
What is the SMILES notation for 1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine?
The canonical SMILES for 1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine is C=CCCc1ccc(/C=N/c2ccc(CCC)cc2)cc1.
What is the InChIKey of 1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine?
The InChIKey is KUXVGFPJZFPGSC-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H23N/c1-3-5-7-18-8-10-19(11-9-18)16-21-20-14-12-17(6-4-2)13-15-20/h3,8-16H,1,4-7H2,2H3/b21-16+.
What are the key properties of 1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine?
1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine has a molecular weight of 277.41 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine is sourced from PubChem (CID 139780766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).