4-[(2-decylphenyl)iminomethyl]benzonitrile

C24H30N2 — CID 21396736

IUPAC4-[(2-decylphenyl)iminomethyl]benzonitrile
SMILESCCCCCCCCCCc1ccccc1/N=C/c1ccc(C#N)cc1
InChIInChI=1S/C24H30N2/c1-2-3-4-5-6-7-8-9-12-23-13-10-11-14-24(23)26-20-22-17-15-21(19-25)16-18-22/h10-11,13-18,20H,2-9,12H2,1H3/b26-20+
InChIKeyADUHTKJNYKHJLC-LHLOQNFPSA-N
MW346.52 g/mol
LogP6.99
Rot. Bonds11

About 4-[(2-decylphenyl)iminomethyl]benzonitrile

4-[(2-decylphenyl)iminomethyl]benzonitrile (PubChem CID 21396736) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 4-[(2-decylphenyl)iminomethyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-decylphenyl)iminomethyl]benzonitrile
PubChem CID21396736
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Name4-[(2-decylphenyl)iminomethyl]benzonitrile
SMILESCCCCCCCCCCc1ccccc1/N=C/c1ccc(C#N)cc1
InChIInChI=1S/C24H30N2/c1-2-3-4-5-6-7-8-9-12-23-13-10-11-14-24(23)26-20-22-17-15-21(19-25)16-18-22/h10-11,13-18,20H,2-9,12H2,1H3/b26-20+
InChIKeyADUHTKJNYKHJLC-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-decylphenyl)iminomethyl]benzonitrile
CID 21396735
4-(2-pentylphenyl)benzonitrile
CID 69050973
4-[2-(4-heptylphenyl)ethenyl]benzonitrile
CID 71383392
1,2-dihexylbenzene;hydrate
CID 172833093
4-[4-[9-[4-[(4-hexylphenyl)iminomethyl]phenoxy]nonoxy]phenyl]benzonitrile
CID 102120024
4-(benzylideneamino)-3-butoxybenzonitrile
CID 154398360
4-heptylbenzonitrile
CID 575863
1-decyl-2-isocyanatobenzene
CID 22218784
4-[(1E,3E)-4-(4-dodecylphenyl)buta-1,3-dienyl]benzonitrile
CID 101235338
1-dodecyl-2-hexylbenzene
CID 19371073
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987

Frequently Asked Questions

What is the IUPAC name of 4-[(2-decylphenyl)iminomethyl]benzonitrile?
The IUPAC name of 4-[(2-decylphenyl)iminomethyl]benzonitrile (CID 21396736) is 4-[(2-decylphenyl)iminomethyl]benzonitrile.
What is the SMILES notation for 4-[(2-decylphenyl)iminomethyl]benzonitrile?
The canonical SMILES for 4-[(2-decylphenyl)iminomethyl]benzonitrile is CCCCCCCCCCc1ccccc1/N=C/c1ccc(C#N)cc1.
What is the InChIKey of 4-[(2-decylphenyl)iminomethyl]benzonitrile?
The InChIKey is ADUHTKJNYKHJLC-LHLOQNFPSA-N. The full InChI is InChI=1S/C24H30N2/c1-2-3-4-5-6-7-8-9-12-23-13-10-11-14-24(23)26-20-22-17-15-21(19-25)16-18-22/h10-11,13-18,20H,2-9,12H2,1H3/b26-20+.
What are the key properties of 4-[(2-decylphenyl)iminomethyl]benzonitrile?
4-[(2-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-[(2-decylphenyl)iminomethyl]benzonitrile is sourced from PubChem (CID 21396736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).