1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine

C22H28N2 — CID 87875436

IUPAC1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine
SMILESCCCCC(/C=N/c1cc(CC)cc(CC)c1)=N\c1ccccc1
InChIInChI=1S/C22H28N2/c1-4-7-11-21(24-20-12-9-8-10-13-20)17-23-22-15-18(5-2)14-19(6-3)16-22/h8-10,12-17H,4-7,11H2,1-3H3/b23-17+,24-21+
InChIKeyGYGMGUBSJAOOSV-ZMXVXOAISA-N
MW320.48 g/mol
LogP6.48
Rot. Bonds8

About 1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine

1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine (PubChem CID 87875436) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine.

Molecular Properties

Compound Name1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine
PubChem CID87875436
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine
SMILESCCCCC(/C=N/c1cc(CC)cc(CC)c1)=N\c1ccccc1
InChIInChI=1S/C22H28N2/c1-4-7-11-21(24-20-12-9-8-10-13-20)17-23-22-15-18(5-2)14-19(6-3)16-22/h8-10,12-17H,4-7,11H2,1-3H3/b23-17+,24-21+
InChIKeyGYGMGUBSJAOOSV-ZMXVXOAISA-N
XLogP6.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine;nickel
CID 87875435
4,5-dimethylbenzene-1,2-diolate;1-N,2-N-diphenylhexane-1,2-diimine;nickel(2+)
CID 158240323
1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine
CID 87910663
1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine
CID 87876665
1-N-(3,5-dibutylphenyl)-2-N-(4-docos-1-enylphenyl)hexane-1,2-diimine;nickel
CID 173191313
1-N-(3,5-dipentylphenyl)-2-N-(4-dodec-1-enylphenyl)hexane-1,2-diimine;nickel
CID 173191328
1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine;nickel
CID 87876664
1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel
CID 87911957
1-N,2-N-bis(4-octylphenyl)hexane-1,2-diimine
CID 87910681
1-N,2-N-diphenylhexane-1,2-diimine;nickel(2+);5-pentyl-3-propylbenzene-1,2-diolate
CID 159332092
6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine
CID 87911478
1-N,2-N-bis(3,4-diethylphenyl)heptane-1,2-diimine;nickel
CID 87875080

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine?
The IUPAC name of 1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine (CID 87875436) is 1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine.
What is the SMILES notation for 1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine?
The canonical SMILES for 1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine is CCCCC(/C=N/c1cc(CC)cc(CC)c1)=N\c1ccccc1.
What is the InChIKey of 1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine?
The InChIKey is GYGMGUBSJAOOSV-ZMXVXOAISA-N. The full InChI is InChI=1S/C22H28N2/c1-4-7-11-21(24-20-12-9-8-10-13-20)17-23-22-15-18(5-2)14-19(6-3)16-22/h8-10,12-17H,4-7,11H2,1-3H3/b23-17+,24-21+.
What are the key properties of 1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine?
1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine has a molecular weight of 320.48 g/mol, XLogP of 6.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine is sourced from PubChem (CID 87875436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).