1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine

C24H32N2 — CID 87876665

IUPAC1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine
SMILESCCC(/C=N/c1cc(CC)cc(CC)c1)=N\c1cc(CC)cc(CC)c1
InChIInChI=1S/C24H32N2/c1-6-18-11-19(7-2)14-23(13-18)25-17-22(10-5)26-24-15-20(8-3)12-21(9-4)16-24/h11-17H,6-10H2,1-5H3/b25-17+,26-22+
InChIKeyORDHPIMPEAASEH-DLQZOSDBSA-N
MW348.53 g/mol
LogP6.82
Rot. Bonds8

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

1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine (PubChem CID 87876665) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine
PubChem CID87876665
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine
SMILESCCC(/C=N/c1cc(CC)cc(CC)c1)=N\c1cc(CC)cc(CC)c1
InChIInChI=1S/C24H32N2/c1-6-18-11-19(7-2)14-23(13-18)25-17-22(10-5)26-24-15-20(8-3)12-21(9-4)16-24/h11-17H,6-10H2,1-5H3/b25-17+,26-22+
InChIKeyORDHPIMPEAASEH-DLQZOSDBSA-N
XLogP6.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-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

1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine;nickel
CID 87876664
1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine
CID 87875436
1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine;nickel
CID 87875435
1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine
CID 87910663
2-N-(3-butyl-4,5-diethylphenyl)-1-N-(4-butyl-3-methyl-5-octylphenyl)butane-1,2-diimine
CID 87964792
3-N,4-N-bis(3,5-diethylphenyl)octane-3,4-diimine
CID 87874647
1-N-(3-butyl-4-ethyl-5-octylphenyl)-2-N-(3-ethyl-5-hexyl-4-phenylphenyl)butane-1,2-diimine
CID 87821792
1-N-(3-butyl-4,5-dihexylphenyl)-2-N-(3-butyl-4-octyl-5-phenylphenyl)butane-1,2-diimine
CID 87964233
2-N-(3,5-dibutyl-4-octylphenyl)-1-N-(4-methyl-3,5-diphenylphenyl)butane-1,2-diimine
CID 87964388
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
(3,5-diethylphenyl)-phenyldiazene
CID 154395321

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine?
The IUPAC name of 1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine (CID 87876665) is 1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine.
What is the SMILES notation for 1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine?
The canonical SMILES for 1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine is CCC(/C=N/c1cc(CC)cc(CC)c1)=N\c1cc(CC)cc(CC)c1.
What is the InChIKey of 1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine?
The InChIKey is ORDHPIMPEAASEH-DLQZOSDBSA-N. The full InChI is InChI=1S/C24H32N2/c1-6-18-11-19(7-2)14-23(13-18)25-17-22(10-5)26-24-15-20(8-3)12-21(9-4)16-24/h11-17H,6-10H2,1-5H3/b25-17+,26-22+.
What are the key properties of 1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine?
1-N,2-N-bis(3,5-diethylphenyl)butane-1,2-diimine has a molecular weight of 348.53 g/mol, XLogP of 6.82, 8 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(3,5-diethylphenyl)butane-1,2-diimine is sourced from PubChem (CID 87876665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).