N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine

C23H30N2 — CID 20719131

IUPACN'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine
SMILESCc1cccc(C(C)C)c1N=C=Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C23H30N2/c1-15(2)19-11-8-10-18(7)22(19)24-14-25-23-20(16(3)4)12-9-13-21(23)17(5)6/h8-13,15-17H,1-7H3
InChIKeyNNUPGMXVMCSRNJ-UHFFFAOYSA-N
MW334.51 g/mol
LogP7.50
Rot. Bonds5

About N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine

N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine (PubChem CID 20719131) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine.

Molecular Properties

Compound NameN'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine
PubChem CID20719131
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC NameN'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine
SMILESCc1cccc(C(C)C)c1N=C=Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C23H30N2/c1-15(2)19-11-8-10-18(7)22(19)24-14-25-23-20(16(3)4)12-9-13-21(23)17(5)6/h8-13,15-17H,1-7H3
InChIKeyNNUPGMXVMCSRNJ-UHFFFAOYSA-N
XLogP7.50
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 57.50
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

N'-(2,6-dimethylphenyl)-N-[5-[(2,6-dimethylphenyl)iminomethylideneamino]pentyl]methanediimine;N'-[2,6-di(propan-2-yl)phenyl]-N-[5-[[2,6-di(propan-2-yl)phenyl]iminomethylideneamino]pentyl]methanediimine
CID 158711664
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-propan-2-yl-6-propylphenyl)methanediimine
CID 141391254
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethylideneamino]phenyl]methanediimine
CID 154177010
N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine
CID 13230672
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
ethane;(2-methyl-6-propan-2-ylphenyl)iminonickel;pyrimidine
CID 87910252
N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide
CID 20660934
[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
CID 11564443
cobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine
CID 87859497
2-methyl-6-propan-2-ylaniline
CID 162117439
1-[bis(2-isocyanato-3-methylphenyl)methyl]-2,3-diisocyanatobenzene
CID 87528112

Frequently Asked Questions

What is the IUPAC name of N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine?
The IUPAC name of N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine (CID 20719131) is N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine.
What is the SMILES notation for N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine?
The canonical SMILES for N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine is Cc1cccc(C(C)C)c1N=C=Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine?
The InChIKey is NNUPGMXVMCSRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2/c1-15(2)19-11-8-10-18(7)22(19)24-14-25-23-20(16(3)4)12-9-13-21(23)17(5)6/h8-13,15-17H,1-7H3.
What are the key properties of N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine?
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine has a molecular weight of 334.51 g/mol, XLogP of 7.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine is sourced from PubChem (CID 20719131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).