1-N,2-N-bis(2,6-dimethylphenyl)butane-1,2-diimine

C20H24N2 — CID 14765569

IUPAC1-N,2-N-bis(2,6-dimethylphenyl)butane-1,2-diimine
SMILESCCC(/C=N/c1c(C)cccc1C)=N\c1c(C)cccc1C
InChIInChI=1S/C20H24N2/c1-6-18(22-20-16(4)11-8-12-17(20)5)13-21-19-14(2)9-7-10-15(19)3/h7-13H,6H2,1-5H3/b21-13+,22-18+
InChIKeyDGFHMDWITPAHAB-UWKFFLMPSA-N
MW292.43 g/mol
LogP5.81
Rot. Bonds4

About 1-N,2-N-bis(2,6-dimethylphenyl)butane-1,2-diimine

1-N,2-N-bis(2,6-dimethylphenyl)butane-1,2-diimine (PubChem CID 14765569) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-N,2-N-bis(2,6-dimethylphenyl)butane-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-bis(2,6-dimethylphenyl)butane-1,2-diimine
PubChem CID14765569
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name1-N,2-N-bis(2,6-dimethylphenyl)butane-1,2-diimine
SMILESCCC(/C=N/c1c(C)cccc1C)=N\c1c(C)cccc1C
InChIInChI=1S/C20H24N2/c1-6-18(22-20-16(4)11-8-12-17(20)5)13-21-19-14(2)9-7-10-15(19)3/h7-13H,6H2,1-5H3/b21-13+,22-18+
InChIKeyDGFHMDWITPAHAB-UWKFFLMPSA-N
XLogP5.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(2,6-dimethylphenyl)butane-1,2-diimine?
The IUPAC name of 1-N,2-N-bis(2,6-dimethylphenyl)butane-1,2-diimine (CID 14765569) is 1-N,2-N-bis(2,6-dimethylphenyl)butane-1,2-diimine.
What is the SMILES notation for 1-N,2-N-bis(2,6-dimethylphenyl)butane-1,2-diimine?
The canonical SMILES for 1-N,2-N-bis(2,6-dimethylphenyl)butane-1,2-diimine is CCC(/C=N/c1c(C)cccc1C)=N\c1c(C)cccc1C.
What is the InChIKey of 1-N,2-N-bis(2,6-dimethylphenyl)butane-1,2-diimine?
The InChIKey is DGFHMDWITPAHAB-UWKFFLMPSA-N. The full InChI is InChI=1S/C20H24N2/c1-6-18(22-20-16(4)11-8-12-17(20)5)13-21-19-14(2)9-7-10-15(19)3/h7-13H,6H2,1-5H3/b21-13+,22-18+.
What are the key properties of 1-N,2-N-bis(2,6-dimethylphenyl)butane-1,2-diimine?
1-N,2-N-bis(2,6-dimethylphenyl)butane-1,2-diimine has a molecular weight of 292.43 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(2,6-dimethylphenyl)butane-1,2-diimine is sourced from PubChem (CID 14765569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).