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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Related Compounds

2-ethyl-6-[(1E)-3-methylbuta-1,3-dienyl]naphthalene
CID 145390100
1-[(1E)-3-benzylbuta-1,3-dienyl]-4-methylbenzene
CID 102460258
1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene
CID 143365182
4-[(1E)-3-methylbuta-1,3-dienyl]benzenethiol
CID 142934935
ethane;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-methylbut-2-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;toluene;bis(1,3-xylene)
CID 143616422
1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 102133829
(NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine
CID 91619623
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317
(E)-4-[4-(2-oxopropyl)phenyl]but-3-en-2-one
CID 130348603
bis(1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine);ethene
CID 70011870
4-[(2,4-dimethylphenyl)iminomethyl]phenol
CID 137138686
(Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol
CID 130384446

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).