N-(2,4-dimethylphenyl)-1-[4-[(1E)-3-methylbuta-1,3-dienyl]phenyl]propan-2-imine

C22H25N — CID 146649498

IUPACN-(2,4-dimethylphenyl)-1-[4-[(1E)-3-methylbuta-1,3-dienyl]phenyl]propan-2-imine
SMILESC=C(C)/C=C/c1ccc(C/C(C)=N/c2ccc(C)cc2C)cc1
InChIInChI=1S/C22H25N/c1-16(2)6-8-20-9-11-21(12-10-20)15-19(5)23-22-13-7-17(3)14-18(22)4/h6-14H,1,15H2,2-5H3/b8-6+,23-19+
InChIKeyRSFIZBPRDKGSDE-DIVXDVBKSA-N
MW303.45 g/mol
LogP6.23
Rot. Bonds5

About N-(2,4-dimethylphenyl)-1-[4-[(1E)-3-methylbuta-1,3-dienyl]phenyl]propan-2-imine

N-(2,4-dimethylphenyl)-1-[4-[(1E)-3-methylbuta-1,3-dienyl]phenyl]propan-2-imine (PubChem CID 146649498) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-[4-[(1E)-3-methylbuta-1,3-dienyl]phenyl]propan-2-imine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-[4-[(1E)-3-methylbuta-1,3-dienyl]phenyl]propan-2-imine
PubChem CID146649498
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC NameN-(2,4-dimethylphenyl)-1-[4-[(1E)-3-methylbuta-1,3-dienyl]phenyl]propan-2-imine
SMILESC=C(C)/C=C/c1ccc(C/C(C)=N/c2ccc(C)cc2C)cc1
InChIInChI=1S/C22H25N/c1-16(2)6-8-20-9-11-21(12-10-20)15-19(5)23-22-13-7-17(3)14-18(22)4/h6-14H,1,15H2,2-5H3/b8-6+,23-19+
InChIKeyRSFIZBPRDKGSDE-DIVXDVBKSA-N
XLogP6.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-[4-[(1E)-3-methylbuta-1,3-dienyl]phenyl]propan-2-imine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-[4-[(1E)-3-methylbuta-1,3-dienyl]phenyl]propan-2-imine (CID 146649498) is N-(2,4-dimethylphenyl)-1-[4-[(1E)-3-methylbuta-1,3-dienyl]phenyl]propan-2-imine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-[4-[(1E)-3-methylbuta-1,3-dienyl]phenyl]propan-2-imine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-[4-[(1E)-3-methylbuta-1,3-dienyl]phenyl]propan-2-imine is C=C(C)/C=C/c1ccc(C/C(C)=N/c2ccc(C)cc2C)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-[4-[(1E)-3-methylbuta-1,3-dienyl]phenyl]propan-2-imine?
The InChIKey is RSFIZBPRDKGSDE-DIVXDVBKSA-N. The full InChI is InChI=1S/C22H25N/c1-16(2)6-8-20-9-11-21(12-10-20)15-19(5)23-22-13-7-17(3)14-18(22)4/h6-14H,1,15H2,2-5H3/b8-6+,23-19+.
What are the key properties of N-(2,4-dimethylphenyl)-1-[4-[(1E)-3-methylbuta-1,3-dienyl]phenyl]propan-2-imine?
N-(2,4-dimethylphenyl)-1-[4-[(1E)-3-methylbuta-1,3-dienyl]phenyl]propan-2-imine has a molecular weight of 303.45 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-[4-[(1E)-3-methylbuta-1,3-dienyl]phenyl]propan-2-imine is sourced from PubChem (CID 146649498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).