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

C18H20N2 — CID 583311

IUPAC2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine
SMILESCC(=N\c1ccccc1C)/C(C)=N/c1ccccc1C
InChIInChI=1S/C18H20N2/c1-13-9-5-7-11-17(13)19-15(3)16(4)20-18-12-8-6-10-14(18)2/h5-12H,1-4H3/b19-15+,20-16+
InChIKeyKJMMITFGLXLELL-MXWIWYRXSA-N
MW264.37 g/mol
LogP5.19
Rot. Bonds3

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

2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine (PubChem CID 583311) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine.

Molecular Properties

Compound Name2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine
PubChem CID583311
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine
SMILESCC(=N\c1ccccc1C)/C(C)=N/c1ccccc1C
InChIInChI=1S/C18H20N2/c1-13-9-5-7-11-17(13)19-15(3)16(4)20-18-12-8-6-10-14(18)2/h5-12H,1-4H3/b19-15+,20-16+
InChIKeyKJMMITFGLXLELL-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'}

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Related Compounds

Magenta Base
CID 12448
Basic violet 14
CID 12447
New Fuchsin
CID 14454445
3H-Indole, 2,3,3-trimethyl-
CID 15427
N-(Diphenylmethylene)aniline
CID 219140
Diphenylmethane-2,2'-diisocyanate
CID 62450
N-Phenylbenzimidoyl cyanide
CID 231999
Di-p-tolylcarbodiimide
CID 69763
Benzenamine, N,N'-methanetetraylbis(2-methyl-
CID 102025
2,3-Bis(2,6-diisopropylphenylimino)butane
CID 608871
N-Cinnamylideneaniline
CID 5375816
N,1-diphenylethan-1-imine
CID 555698

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine?
The IUPAC name of 2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine (CID 583311) is 2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine.
What is the SMILES notation for 2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine?
The canonical SMILES for 2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine is CC(=N\c1ccccc1C)/C(C)=N/c1ccccc1C.
What is the InChIKey of 2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine?
The InChIKey is KJMMITFGLXLELL-MXWIWYRXSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-9-5-7-11-17(13)19-15(3)16(4)20-18-12-8-6-10-14(18)2/h5-12H,1-4H3/b19-15+,20-16+.
What are the key properties of 2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine?
2-N,3-N-bis(2-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(2-methylphenyl)butane-2,3-diimine is sourced from PubChem (CID 583311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).