N,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine

C30H44N2 — CID 87875232

IUPACN,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine
SMILESCCCCc1cc(CCCC)cc(/N=C/C=N/c2cc(CCCC)cc(CCCC)c2)c1
InChIInChI=1S/C30H44N2/c1-5-9-13-25-19-26(14-10-6-2)22-29(21-25)31-17-18-32-30-23-27(15-11-7-3)20-28(24-30)16-12-8-4/h17-24H,5-16H2,1-4H3/b31-17+,32-18+
InChIKeyDGQQZVVCVZZHAY-LTTYKRRRSA-N
MW432.70 g/mol
LogP9.16
Rot. Bonds15

About N,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine

N,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine (PubChem CID 87875232) has the molecular formula C30H44N2 and a molecular weight of 432.70 g/mol. Its IUPAC name is N,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine
PubChem CID87875232
Molecular FormulaC30H44N2
Molecular Weight432.70 g/mol
Exact Mass432.35
IUPAC NameN,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine
SMILESCCCCc1cc(CCCC)cc(/N=C/C=N/c2cc(CCCC)cc(CCCC)c2)c1
InChIInChI=1S/C30H44N2/c1-5-9-13-25-19-26(14-10-6-2)22-29(21-25)31-17-18-32-30-23-27(15-11-7-3)20-28(24-30)16-12-8-4/h17-24H,5-16H2,1-4H3/b31-17+,32-18+
InChIKeyDGQQZVVCVZZHAY-LTTYKRRRSA-N
XLogP9.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.70
LogP ≤ 59.16
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

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CID 608871
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CID 291034
N-Benzylidene-m-toluidine
CID 111106
Benzenamine, N-[[4-(1-methylethyl)phenyl]methylene]-
CID 4393045
N,N'-Terephthalylidenebis(3,5-dimethylaniline)
CID 318586
N,N'-1,2-Ethanediylidenebis(2,4,6-trimethylbenzenamine)
CID 3741651
N-(2-methylphenyl)-N-{2-[(2-methylphenyl)imino]ethylidene}amine
CID 576554
N1-[(Z)-2[(2,6-dimethylphenyl)-imino]-ethyliden]-2,6-dimethylanilin
CID 583301
N,N'-Bis(2,6-diisopropylphenyl)ethanediimine
CID 630473
N-(Cinnamylidene)-M-toluidine
CID 6142434
N,N'-(1,4-Phenylenedimethylidyne)DI-M-toluidine
CID 3495242

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine?
The IUPAC name of N,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine (CID 87875232) is N,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine.
What is the SMILES notation for N,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine?
The canonical SMILES for N,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine is CCCCc1cc(CCCC)cc(/N=C/C=N/c2cc(CCCC)cc(CCCC)c2)c1.
What is the InChIKey of N,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine?
The InChIKey is DGQQZVVCVZZHAY-LTTYKRRRSA-N. The full InChI is InChI=1S/C30H44N2/c1-5-9-13-25-19-26(14-10-6-2)22-29(21-25)31-17-18-32-30-23-27(15-11-7-3)20-28(24-30)16-12-8-4/h17-24H,5-16H2,1-4H3/b31-17+,32-18+.
What are the key properties of N,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine?
N,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine has a molecular weight of 432.70 g/mol, XLogP of 9.16, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine is sourced from PubChem (CID 87875232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).