N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline

C29H36N2 — CID 101440233

IUPACN-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1NC/C(Cc1ccccc1)=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H36N2/c1-20(2)26-16-11-17-27(21(3)4)29(26)31-25(18-24-14-8-7-9-15-24)19-30-28-22(5)12-10-13-23(28)6/h7-17,20-21,30H,18-19H2,1-6H3/b31-25+
InChIKeyZELZARWFLLLSPB-QCKNELIISA-N
MW412.62 g/mol
LogP7.98
Rot. Bonds8

About N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline

N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline (PubChem CID 101440233) has the molecular formula C29H36N2 and a molecular weight of 412.62 g/mol. Its IUPAC name is N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline.

Molecular Properties

Compound NameN-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline
PubChem CID101440233
Molecular FormulaC29H36N2
Molecular Weight412.62 g/mol
Exact Mass412.29
IUPAC NameN-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1NC/C(Cc1ccccc1)=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H36N2/c1-20(2)26-16-11-17-27(21(3)4)29(26)31-25(18-24-14-8-7-9-15-24)19-30-28-22(5)12-10-13-23(28)6/h7-17,20-21,30H,18-19H2,1-6H3/b31-25+
InChIKeyZELZARWFLLLSPB-QCKNELIISA-N
XLogP7.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.62
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline
CID 102088416
N-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline
CID 102278208
N-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine
CID 136753166
2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide
CID 108992863
N-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide
CID 108997202
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);nickel;toluene
CID 139138147
2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline
CID 101126797
N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline
CID 20771836
1-methyl-2-propan-2-ylbenzene;propylbenzene
CID 177038252
2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid
CID 103247796
2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide
CID 20660748

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline?
The IUPAC name of N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline (CID 101440233) is N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline.
What is the SMILES notation for N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline?
The canonical SMILES for N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline is Cc1cccc(C)c1NC/C(Cc1ccccc1)=N/c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline?
The InChIKey is ZELZARWFLLLSPB-QCKNELIISA-N. The full InChI is InChI=1S/C29H36N2/c1-20(2)26-16-11-17-27(21(3)4)29(26)31-25(18-24-14-8-7-9-15-24)19-30-28-22(5)12-10-13-23(28)6/h7-17,20-21,30H,18-19H2,1-6H3/b31-25+.
What are the key properties of N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline?
N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline has a molecular weight of 412.62 g/mol, XLogP of 7.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline is sourced from PubChem (CID 101440233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).