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

C54H72N8 — CID 158711664

IUPACN'-(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
SMILESCC(C)c1cccc(C(C)C)c1N=C=NCCCCCN=C=Nc1c(C(C)C)cccc1C(C)C.Cc1cccc(C)c1N=C=NCCCCCN=C=Nc1c(C)cccc1C
InChIInChI=1S/C31H44N4.C23H28N4/c1-22(2)26-14-12-15-27(23(3)4)30(26)34-20-32-18-10-9-11-19-33-21-35-31-28(24(5)6)16-13-17-29(31)25(7)8;1-18-10-8-11-19(2)22(18)26-16-24-14-6-5-7-15-25-17-27-23-20(3)12-9-13-21(23)4/h12-17,22-25H,9-11,18-19H2,1-8H3;8-13H,5-7,14-15H2,1-4H3
InChIKeyIIUMZTQBWCTPEL-UHFFFAOYSA-N
MW833.23 g/mol
LogP16.06
Rot. Bonds20

About 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

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 (PubChem CID 158711664) has the molecular formula C54H72N8 and a molecular weight of 833.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN'-(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
PubChem CID158711664
Molecular FormulaC54H72N8
Molecular Weight833.23 g/mol
Exact Mass832.59
IUPAC NameN'-(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
SMILESCC(C)c1cccc(C(C)C)c1N=C=NCCCCCN=C=Nc1c(C(C)C)cccc1C(C)C.Cc1cccc(C)c1N=C=NCCCCCN=C=Nc1c(C)cccc1C
InChIInChI=1S/C31H44N4.C23H28N4/c1-22(2)26-14-12-15-27(23(3)4)30(26)34-20-32-18-10-9-11-19-33-21-35-31-28(24(5)6)16-13-17-29(31)25(7)8;1-18-10-8-11-19(2)22(18)26-16-24-14-6-5-7-15-25-17-27-23-20(3)12-9-13-21(23)4/h12-17,22-25H,9-11,18-19H2,1-8H3;8-13H,5-7,14-15H2,1-4H3
InChIKeyIIUMZTQBWCTPEL-UHFFFAOYSA-N
XLogP16.06
TPSA98.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.23
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine
CID 20719131
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-methylphenyl)-N-pentylmethanediimine
CID 150814814
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cccc(C(C)C)c1N=C=NCCCCCN=C=Nc1c(C(C)C)cccc1C(C)C.Cc1cccc(C)c1N=C=NCCCCCN=C=Nc1c(C)cccc1C.
What is the InChIKey of 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?
The InChIKey is IIUMZTQBWCTPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N4.C23H28N4/c1-22(2)26-14-12-15-27(23(3)4)30(26)34-20-32-18-10-9-11-19-33-21-35-31-28(24(5)6)16-13-17-29(31)25(7)8;1-18-10-8-11-19(2)22(18)26-16-24-14-6-5-7-15-25-17-27-23-20(3)12-9-13-21(23)4/h12-17,22-25H,9-11,18-19H2,1-8H3;8-13H,5-7,14-15H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 833.23 g/mol, XLogP of 16.06, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158711664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).