1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine

C24H31N — CID 143730274

IUPAC1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
SMILESC=Cc1ccc(/C=N/c2ccc(CCCCCCCCC)cc2)cc1
InChIInChI=1S/C24H31N/c1-3-5-6-7-8-9-10-11-22-16-18-24(19-17-22)25-20-23-14-12-21(4-2)13-15-23/h4,12-20H,2-3,5-11H2,1H3/b25-20+
InChIKeyBLMSACMYDALCAA-LKUDQCMESA-N
MW333.52 g/mol
LogP7.37
Rot. Bonds11

About 1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine

1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine (PubChem CID 143730274) has the molecular formula C24H31N and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
PubChem CID143730274
Molecular FormulaC24H31N
Molecular Weight333.52 g/mol
Exact Mass333.25
IUPAC Name1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
SMILESC=Cc1ccc(/C=N/c2ccc(CCCCCCCCC)cc2)cc1
InChIInChI=1S/C24H31N/c1-3-5-6-7-8-9-10-11-22-16-18-24(19-17-22)25-20-23-14-12-21(4-2)13-15-23/h4,12-20H,2-3,5-11H2,1H3/b25-20+
InChIKeyBLMSACMYDALCAA-LKUDQCMESA-N
XLogP7.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
4-[(4-decylphenyl)iminomethyl]benzonitrile
CID 21396735
1-(4-pentoxyphenyl)-N-[4-[8-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]octyl]phenyl]methanimine
CID 101084662
N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
CID 101243686
1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
CID 2753464
1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine
CID 4065401
1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine
CID 86093718
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212
2,7-bis[4-[(4-pentylphenyl)iminomethyl]phenyl]cyclohepta-2,4,6-trien-1-one
CID 122374779
1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene
CID 157182704

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine?
The IUPAC name of 1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine (CID 143730274) is 1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine.
What is the SMILES notation for 1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine?
The canonical SMILES for 1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine is C=Cc1ccc(/C=N/c2ccc(CCCCCCCCC)cc2)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine?
The InChIKey is BLMSACMYDALCAA-LKUDQCMESA-N. The full InChI is InChI=1S/C24H31N/c1-3-5-6-7-8-9-10-11-22-16-18-24(19-17-22)25-20-23-14-12-21(4-2)13-15-23/h4,12-20H,2-3,5-11H2,1H3/b25-20+.
What are the key properties of 1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine?
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine has a molecular weight of 333.52 g/mol, XLogP of 7.37, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine is sourced from PubChem (CID 143730274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).