4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline

C18H22N4 — CID 6863007

IUPAC4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/N=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H22N4/c1-21(2)17-9-5-15(6-10-17)13-19-20-14-16-7-11-18(12-8-16)22(3)4/h5-14H,1-4H3/b19-13+,20-14+
InChIKeyUPHRISURECPMEH-IWGRKNQJSA-N
MW294.40 g/mol
LogP3.27
Rot. Bonds5

About 4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline

4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline (PubChem CID 6863007) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
PubChem CID6863007
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/N=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H22N4/c1-21(2)17-9-5-15(6-10-17)13-19-20-14-16-7-11-18(12-8-16)22(3)4/h5-14H,1-4H3/b19-13+,20-14+
InChIKeyUPHRISURECPMEH-IWGRKNQJSA-N
XLogP3.27
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline (CID 6863007) is 4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=N/N=C/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
The InChIKey is UPHRISURECPMEH-IWGRKNQJSA-N. The full InChI is InChI=1S/C18H22N4/c1-21(2)17-9-5-15(6-10-17)13-19-20-14-16-7-11-18(12-8-16)22(3)4/h5-14H,1-4H3/b19-13+,20-14+.
What are the key properties of 4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline has a molecular weight of 294.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 6863007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).