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

C25H34N2 — CID 141391254

IUPACN'-[2,6-di(propan-2-yl)phenyl]-N-(2-propan-2-yl-6-propylphenyl)methanediimine
SMILESCCCc1cccc(C(C)C)c1N=C=Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C25H34N2/c1-8-11-20-12-9-13-21(17(2)3)24(20)26-16-27-25-22(18(4)5)14-10-15-23(25)19(6)7/h9-10,12-15,17-19H,8,11H2,1-7H3
InChIKeyGZTNEHWWIROBIK-UHFFFAOYSA-N
MW362.56 g/mol
LogP8.15
Rot. Bonds7

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

N'-[2,6-di(propan-2-yl)phenyl]-N-(2-propan-2-yl-6-propylphenyl)methanediimine (PubChem CID 141391254) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is N'-[2,6-di(propan-2-yl)phenyl]-N-(2-propan-2-yl-6-propylphenyl)methanediimine.

Molecular Properties

Compound NameN'-[2,6-di(propan-2-yl)phenyl]-N-(2-propan-2-yl-6-propylphenyl)methanediimine
PubChem CID141391254
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC NameN'-[2,6-di(propan-2-yl)phenyl]-N-(2-propan-2-yl-6-propylphenyl)methanediimine
SMILESCCCc1cccc(C(C)C)c1N=C=Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C25H34N2/c1-8-11-20-12-9-13-21(17(2)3)24(20)26-16-27-25-22(18(4)5)14-10-15-23(25)19(6)7/h9-10,12-15,17-19H,8,11H2,1-7H3
InChIKeyGZTNEHWWIROBIK-UHFFFAOYSA-N
XLogP8.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[2,6-di(propan-2-yl)phenyl]-N-(2-propan-2-yl-6-propylphenyl)methanediimine 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

N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine
CID 20719131
1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide
CID 172751409
2-butyl-1-propan-2-yl-3-propylbenzene
CID 173336292
2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline
CID 101126796
N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine
CID 13230672
1-ethyl-2-isocyanato-3-propylbenzene
CID 54335177
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
2-N-(2,6-diethylphenyl)-3-N-[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;nickel
CID 87861081
1,2-diisothiocyanato-3-propylbenzene
CID 154138240
1-(1-isocyanatoethyl)-2-propylbenzene
CID 105443728
3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine
CID 126613596
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957

Frequently Asked Questions

What is the IUPAC name of N'-[2,6-di(propan-2-yl)phenyl]-N-(2-propan-2-yl-6-propylphenyl)methanediimine?
The IUPAC name of N'-[2,6-di(propan-2-yl)phenyl]-N-(2-propan-2-yl-6-propylphenyl)methanediimine (CID 141391254) is N'-[2,6-di(propan-2-yl)phenyl]-N-(2-propan-2-yl-6-propylphenyl)methanediimine.
What is the SMILES notation for N'-[2,6-di(propan-2-yl)phenyl]-N-(2-propan-2-yl-6-propylphenyl)methanediimine?
The canonical SMILES for N'-[2,6-di(propan-2-yl)phenyl]-N-(2-propan-2-yl-6-propylphenyl)methanediimine is CCCc1cccc(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-propan-2-yl-6-propylphenyl)methanediimine?
The InChIKey is GZTNEHWWIROBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2/c1-8-11-20-12-9-13-21(17(2)3)24(20)26-16-27-25-22(18(4)5)14-10-15-23(25)19(6)7/h9-10,12-15,17-19H,8,11H2,1-7H3.
What are the key properties of N'-[2,6-di(propan-2-yl)phenyl]-N-(2-propan-2-yl-6-propylphenyl)methanediimine?
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-propan-2-yl-6-propylphenyl)methanediimine has a molecular weight of 362.56 g/mol, XLogP of 8.15, 7 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-propan-2-yl-6-propylphenyl)methanediimine is sourced from PubChem (CID 141391254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).