2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline

C24H36N2O — CID 118681908

IUPAC2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline
SMILESCc1cc(C)c(C)c(NCCOCCNc2c(C)c(C)cc(C)c2C)c1C
InChIInChI=1S/C24H36N2O/c1-15-13-16(2)20(6)23(19(15)5)25-9-11-27-12-10-26-24-21(7)17(3)14-18(4)22(24)8/h13-14,25-26H,9-12H2,1-8H3
InChIKeyVCWWOBFXYRXBRW-UHFFFAOYSA-N
MW368.57 g/mol
LogP5.69
Rot. Bonds8

About 2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline

2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline (PubChem CID 118681908) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline
PubChem CID118681908
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline
SMILESCc1cc(C)c(C)c(NCCOCCNc2c(C)c(C)cc(C)c2C)c1C
InChIInChI=1S/C24H36N2O/c1-15-13-16(2)20(6)23(19(15)5)25-9-11-27-12-10-26-24-21(7)17(3)14-18(4)22(24)8/h13-14,25-26H,9-12H2,1-8H3
InChIKeyVCWWOBFXYRXBRW-UHFFFAOYSA-N
XLogP5.69
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.57
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline?
The IUPAC name of 2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline (CID 118681908) is 2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline is Cc1cc(C)c(C)c(NCCOCCNc2c(C)c(C)cc(C)c2C)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline?
The InChIKey is VCWWOBFXYRXBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-15-13-16(2)20(6)23(19(15)5)25-9-11-27-12-10-26-24-21(7)17(3)14-18(4)22(24)8/h13-14,25-26H,9-12H2,1-8H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline?
2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline has a molecular weight of 368.57 g/mol, XLogP of 5.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline is sourced from PubChem (CID 118681908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).