N-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline

C18H22N4 — CID 44512523

IUPACN-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline
SMILESCC(=N\N(C)c1ccccc1)/C(C)=N/N(C)c1ccccc1
InChIInChI=1S/C18H22N4/c1-15(19-21(3)17-11-7-5-8-12-17)16(2)20-22(4)18-13-9-6-10-14-18/h5-14H,1-4H3/b19-15+,20-16+
InChIKeyGAZUJKJJBRIPLV-MXWIWYRXSA-N
MW294.40 g/mol
LogP4.01
Rot. Bonds5

About N-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline

N-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline (PubChem CID 44512523) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline.

Molecular Properties

Compound NameN-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline
PubChem CID44512523
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC NameN-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline
SMILESCC(=N\N(C)c1ccccc1)/C(C)=N/N(C)c1ccccc1
InChIInChI=1S/C18H22N4/c1-15(19-21(3)17-11-7-5-8-12-17)16(2)20-22(4)18-13-9-6-10-14-18/h5-14H,1-4H3/b19-15+,20-16+
InChIKeyGAZUJKJJBRIPLV-MXWIWYRXSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 N-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline?
The IUPAC name of N-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline (CID 44512523) is N-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline.
What is the SMILES notation for N-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline?
The canonical SMILES for N-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline is CC(=N\N(C)c1ccccc1)/C(C)=N/N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline?
The InChIKey is GAZUJKJJBRIPLV-MXWIWYRXSA-N. The full InChI is InChI=1S/C18H22N4/c1-15(19-21(3)17-11-7-5-8-12-17)16(2)20-22(4)18-13-9-6-10-14-18/h5-14H,1-4H3/b19-15+,20-16+.
What are the key properties of N-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline?
N-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline has a molecular weight of 294.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline is sourced from PubChem (CID 44512523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).