4-[(4-decylphenyl)iminomethyl]benzonitrile

C24H30N2 — CID 21396735

IUPAC4-[(4-decylphenyl)iminomethyl]benzonitrile
SMILESCCCCCCCCCCc1ccc(/N=C/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H30N2/c1-2-3-4-5-6-7-8-9-10-21-15-17-24(18-16-21)26-20-23-13-11-22(19-25)12-14-23/h11-18,20H,2-10H2,1H3/b26-20+
InChIKeyCGVORDZVKFOTML-LHLOQNFPSA-N
MW346.52 g/mol
LogP6.99
Rot. Bonds11

About 4-[(4-decylphenyl)iminomethyl]benzonitrile

4-[(4-decylphenyl)iminomethyl]benzonitrile (PubChem CID 21396735) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 4-[(4-decylphenyl)iminomethyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-decylphenyl)iminomethyl]benzonitrile
PubChem CID21396735
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Name4-[(4-decylphenyl)iminomethyl]benzonitrile
SMILESCCCCCCCCCCc1ccc(/N=C/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H30N2/c1-2-3-4-5-6-7-8-9-10-21-15-17-24(18-16-21)26-20-23-13-11-22(19-25)12-14-23/h11-18,20H,2-10H2,1H3/b26-20+
InChIKeyCGVORDZVKFOTML-LHLOQNFPSA-N
XLogP6.99
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 56.99
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

4-[4-[9-[4-[(4-hexylphenyl)iminomethyl]phenoxy]nonoxy]phenyl]benzonitrile
CID 102120024
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
[4-[(4-cyanophenyl)iminomethyl]phenyl] 4-hexylbenzoate
CID 4623457
4-[2-(4-heptylphenyl)ethenyl]benzonitrile
CID 71383392
4-[(4-ethylphenyl)iminomethyl]benzonitrile
CID 23167748
4-heptylbenzonitrile
CID 575863
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-decylphenyl)iminomethyl]benzonitrile?
The IUPAC name of 4-[(4-decylphenyl)iminomethyl]benzonitrile (CID 21396735) is 4-[(4-decylphenyl)iminomethyl]benzonitrile.
What is the SMILES notation for 4-[(4-decylphenyl)iminomethyl]benzonitrile?
The canonical SMILES for 4-[(4-decylphenyl)iminomethyl]benzonitrile is CCCCCCCCCCc1ccc(/N=C/c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[(4-decylphenyl)iminomethyl]benzonitrile?
The InChIKey is CGVORDZVKFOTML-LHLOQNFPSA-N. The full InChI is InChI=1S/C24H30N2/c1-2-3-4-5-6-7-8-9-10-21-15-17-24(18-16-21)26-20-23-13-11-22(19-25)12-14-23/h11-18,20H,2-10H2,1H3/b26-20+.
What are the key properties of 4-[(4-decylphenyl)iminomethyl]benzonitrile?
4-[(4-decylphenyl)iminomethyl]benzonitrile has a molecular weight of 346.52 g/mol, XLogP of 6.99, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-decylphenyl)iminomethyl]benzonitrile is sourced from PubChem (CID 21396735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).