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

C19H22N2 — CID 12743350

IUPAC1-N,2-N-bis(2,6-dimethylphenyl)propane-1,2-diimine
SMILESCC(/C=N/c1c(C)cccc1C)=N\c1c(C)cccc1C
InChIInChI=1S/C19H22N2/c1-13-8-6-9-14(2)18(13)20-12-17(5)21-19-15(3)10-7-11-16(19)4/h6-12H,1-5H3/b20-12+,21-17+
InChIKeyXUSOVBFGZHNYEX-PPTAUHKUSA-N
MW278.40 g/mol
LogP5.42
Rot. Bonds3

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

1-N,2-N-bis(2,6-dimethylphenyl)propane-1,2-diimine (PubChem CID 12743350) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-N,2-N-bis(2,6-dimethylphenyl)propane-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-bis(2,6-dimethylphenyl)propane-1,2-diimine
PubChem CID12743350
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name1-N,2-N-bis(2,6-dimethylphenyl)propane-1,2-diimine
SMILESCC(/C=N/c1c(C)cccc1C)=N\c1c(C)cccc1C
InChIInChI=1S/C19H22N2/c1-13-8-6-9-14(2)18(13)20-12-17(5)21-19-15(3)10-7-11-16(19)4/h6-12H,1-5H3/b20-12+,21-17+
InChIKeyXUSOVBFGZHNYEX-PPTAUHKUSA-N
XLogP5.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.42
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)propane-1,2-diimine?
The IUPAC name of 1-N,2-N-bis(2,6-dimethylphenyl)propane-1,2-diimine (CID 12743350) is 1-N,2-N-bis(2,6-dimethylphenyl)propane-1,2-diimine.
What is the SMILES notation for 1-N,2-N-bis(2,6-dimethylphenyl)propane-1,2-diimine?
The canonical SMILES for 1-N,2-N-bis(2,6-dimethylphenyl)propane-1,2-diimine is CC(/C=N/c1c(C)cccc1C)=N\c1c(C)cccc1C.
What is the InChIKey of 1-N,2-N-bis(2,6-dimethylphenyl)propane-1,2-diimine?
The InChIKey is XUSOVBFGZHNYEX-PPTAUHKUSA-N. The full InChI is InChI=1S/C19H22N2/c1-13-8-6-9-14(2)18(13)20-12-17(5)21-19-15(3)10-7-11-16(19)4/h6-12H,1-5H3/b20-12+,21-17+.
What are the key properties of 1-N,2-N-bis(2,6-dimethylphenyl)propane-1,2-diimine?
1-N,2-N-bis(2,6-dimethylphenyl)propane-1,2-diimine has a molecular weight of 278.40 g/mol, XLogP of 5.42, 3 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)propane-1,2-diimine is sourced from PubChem (CID 12743350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).