N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine

C24H30N4O2 — CID 1020625

IUPACN,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine
SMILESCc1ccc(/N=C(C(=N\c2ccc(C)cc2)/N2CCOCC2)\N2CCOCC2)cc1
InChIInChI=1S/C24H30N4O2/c1-19-3-7-21(8-4-19)25-23(27-11-15-29-16-12-27)24(28-13-17-30-18-14-28)26-22-9-5-20(2)6-10-22/h3-10H,11-18H2,1-2H3/b25-23-,26-24+
InChIKeyIYGASNNFQCVNJB-MJPLYFDISA-N
MW406.53 g/mol
LogP3.73
Rot. Bonds2

About N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine

N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine (PubChem CID 1020625) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine
PubChem CID1020625
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine
SMILESCc1ccc(/N=C(C(=N\c2ccc(C)cc2)/N2CCOCC2)\N2CCOCC2)cc1
InChIInChI=1S/C24H30N4O2/c1-19-3-7-21(8-4-19)25-23(27-11-15-29-16-12-27)24(28-13-17-30-18-14-28)26-22-9-5-20(2)6-10-22/h3-10H,11-18H2,1-2H3/b25-23-,26-24+
InChIKeyIYGASNNFQCVNJB-MJPLYFDISA-N
XLogP3.73
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine?
The IUPAC name of N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine (CID 1020625) is N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine.
What is the SMILES notation for N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine?
The canonical SMILES for N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine is Cc1ccc(/N=C(C(=N\c2ccc(C)cc2)/N2CCOCC2)\N2CCOCC2)cc1.
What is the InChIKey of N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine?
The InChIKey is IYGASNNFQCVNJB-MJPLYFDISA-N. The full InChI is InChI=1S/C24H30N4O2/c1-19-3-7-21(8-4-19)25-23(27-11-15-29-16-12-27)24(28-13-17-30-18-14-28)26-22-9-5-20(2)6-10-22/h3-10H,11-18H2,1-2H3/b25-23-,26-24+.
What are the key properties of N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine?
N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine has a molecular weight of 406.53 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine is sourced from PubChem (CID 1020625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).