N,N'-bis(4-butylphenyl)methanediimine

C21H26N2 — CID 87580570

IUPACN,N'-bis(4-butylphenyl)methanediimine
SMILESCCCCc1ccc(N=C=Nc2ccc(CCCC)cc2)cc1
InChIInChI=1S/C21H26N2/c1-3-5-7-18-9-13-20(14-10-18)22-17-23-21-15-11-19(12-16-21)8-6-4-2/h9-16H,3-8H2,1-2H3
InChIKeySJNIXKXBBGIOBU-UHFFFAOYSA-N
MW306.45 g/mol
LogP6.51
Rot. Bonds8

About N,N'-bis(4-butylphenyl)methanediimine

N,N'-bis(4-butylphenyl)methanediimine (PubChem CID 87580570) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N,N'-bis(4-butylphenyl)methanediimine.

Molecular Properties

Compound NameN,N'-bis(4-butylphenyl)methanediimine
PubChem CID87580570
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN,N'-bis(4-butylphenyl)methanediimine
SMILESCCCCc1ccc(N=C=Nc2ccc(CCCC)cc2)cc1
InChIInChI=1S/C21H26N2/c1-3-5-7-18-9-13-20(14-10-18)22-17-23-21-15-11-19(12-16-21)8-6-4-2/h9-16H,3-8H2,1-2H3
InChIKeySJNIXKXBBGIOBU-UHFFFAOYSA-N
XLogP6.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 56.51
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-isocyanato-4-octadecylbenzene
CID 89155729
bis(4-decylphenyl)diazene
CID 71359462
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
N,N'-bis(4-butylphenyl)ethanediimidoyl dichloride
CID 15268673
1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
4-[(4-butylphenyl)diazenyl]-N-methylaniline
CID 129106039
butylbenzene;propylbenzene
CID 142022125
[4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene
CID 10643169
bis[4-[(4-butylphenyl)diazenyl]-3,5-dimethylphenyl]diazene
CID 100995300

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-butylphenyl)methanediimine?
The IUPAC name of N,N'-bis(4-butylphenyl)methanediimine (CID 87580570) is N,N'-bis(4-butylphenyl)methanediimine.
What is the SMILES notation for N,N'-bis(4-butylphenyl)methanediimine?
The canonical SMILES for N,N'-bis(4-butylphenyl)methanediimine is CCCCc1ccc(N=C=Nc2ccc(CCCC)cc2)cc1.
What is the InChIKey of N,N'-bis(4-butylphenyl)methanediimine?
The InChIKey is SJNIXKXBBGIOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-3-5-7-18-9-13-20(14-10-18)22-17-23-21-15-11-19(12-16-21)8-6-4-2/h9-16H,3-8H2,1-2H3.
What are the key properties of N,N'-bis(4-butylphenyl)methanediimine?
N,N'-bis(4-butylphenyl)methanediimine has a molecular weight of 306.45 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-butylphenyl)methanediimine is sourced from PubChem (CID 87580570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).