2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine

C18H20N2 — CID 572234

IUPAC2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine
SMILESCC(=N\c1ccc(C)cc1)/C(C)=N/c1ccc(C)cc1
InChIInChI=1S/C18H20N2/c1-13-5-9-17(10-6-13)19-15(3)16(4)20-18-11-7-14(2)8-12-18/h5-12H,1-4H3/b19-15+,20-16+
InChIKeyFHELVLYESJUGRR-MXWIWYRXSA-N
MW264.37 g/mol
LogP5.19
Rot. Bonds3

About 2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine

2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine (PubChem CID 572234) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine.

Molecular Properties

Compound Name2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine
PubChem CID572234
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine
SMILESCC(=N\c1ccc(C)cc1)/C(C)=N/c1ccc(C)cc1
InChIInChI=1S/C18H20N2/c1-13-5-9-17(10-6-13)19-15(3)16(4)20-18-11-7-14(2)8-12-18/h5-12H,1-4H3/b19-15+,20-16+
InChIKeyFHELVLYESJUGRR-MXWIWYRXSA-N
XLogP5.19
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Crystal Violet
CID 11057
Diphenylmethane diisocyanate
CID 7570
Malachite Green
CID 11294
Magenta Base
CID 12448
Pararosaniline Hydrochloride
CID 11292
Gentian violet cation
CID 3468
Malachite green cation
CID 11295
Basic violet 14
CID 12447
New Fuchsin
CID 14454445
Pararosaniline
CID 11293
4,4'-Diaminostilbene
CID 5284646
C.I. Solvent Violet 8
CID 164877

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine?
The IUPAC name of 2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine (CID 572234) is 2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine.
What is the SMILES notation for 2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine?
The canonical SMILES for 2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine is CC(=N\c1ccc(C)cc1)/C(C)=N/c1ccc(C)cc1.
What is the InChIKey of 2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine?
The InChIKey is FHELVLYESJUGRR-MXWIWYRXSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-5-9-17(10-6-13)19-15(3)16(4)20-18-11-7-14(2)8-12-18/h5-12H,1-4H3/b19-15+,20-16+.
What are the key properties of 2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine?
2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine has a molecular weight of 264.37 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine is sourced from PubChem (CID 572234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).