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

C25H33NO — CID 59991212

IUPAC1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
SMILESC=Cc1ccc(/N=C/c2ccc(OCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C25H33NO/c1-3-5-6-7-8-9-10-11-20-27-25-18-14-23(15-19-25)21-26-24-16-12-22(4-2)13-17-24/h4,12-19,21H,2-3,5-11,20H2,1H3/b26-21+
InChIKeyBHBRBYXFHNEIQV-YYADALCUSA-N
MW363.55 g/mol
LogP7.60
Rot. Bonds13

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

1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine (PubChem CID 59991212) has the molecular formula C25H33NO and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
PubChem CID59991212
Molecular FormulaC25H33NO
Molecular Weight363.55 g/mol
Exact Mass363.26
IUPAC Name1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
SMILESC=Cc1ccc(/N=C/c2ccc(OCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C25H33NO/c1-3-5-6-7-8-9-10-11-20-27-25-18-14-23(15-19-25)21-26-24-16-12-22(4-2)13-17-24/h4,12-19,21H,2-3,5-11,20H2,1H3/b26-21+
InChIKeyBHBRBYXFHNEIQV-YYADALCUSA-N
XLogP7.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
CID 102390426
N-(4-hexoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 86094874
1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 71354191
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051
N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
CID 2753474
4-[(4-dodecoxyphenyl)methylideneamino]phenol
CID 18443748
1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 102149823
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine?
The IUPAC name of 1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine (CID 59991212) is 1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine.
What is the SMILES notation for 1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine?
The canonical SMILES for 1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine is C=Cc1ccc(/N=C/c2ccc(OCCCCCCCCCC)cc2)cc1.
What is the InChIKey of 1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine?
The InChIKey is BHBRBYXFHNEIQV-YYADALCUSA-N. The full InChI is InChI=1S/C25H33NO/c1-3-5-6-7-8-9-10-11-20-27-25-18-14-23(15-19-25)21-26-24-16-12-22(4-2)13-17-24/h4,12-19,21H,2-3,5-11,20H2,1H3/b26-21+.
What are the key properties of 1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine?
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine has a molecular weight of 363.55 g/mol, XLogP of 7.60, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine is sourced from PubChem (CID 59991212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).