(E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine

C29H36N4O2 — CID 56655933

IUPAC(E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine
SMILESc1c2c(nc3c1CCC/C3=N\OCCCO/N=C1\CCCc3cc4c(nc31)CCCC4)CCCC2
InChIInChI=1S/C29H36N4O2/c1-3-12-24-20(8-1)18-22-10-5-14-26(28(22)30-24)32-34-16-7-17-35-33-27-15-6-11-23-19-21-9-2-4-13-25(21)31-29(23)27/h18-19H,1-17H2/b32-26+,33-27+
InChIKeyYNMGHTNSGOKWOS-RPZUVYPISA-N
MW472.63 g/mol
LogP5.44
Rot. Bonds6

About (E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine

(E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine (PubChem CID 56655933) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is (E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine.

Molecular Properties

Compound Name(E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine
PubChem CID56655933
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name(E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine
SMILESc1c2c(nc3c1CCC/C3=N\OCCCO/N=C1\CCCc3cc4c(nc31)CCCC4)CCCC2
InChIInChI=1S/C29H36N4O2/c1-3-12-24-20(8-1)18-22-10-5-14-26(28(22)30-24)32-34-16-7-17-35-33-27-15-6-11-23-19-21-9-2-4-13-25(21)31-29(23)27/h18-19H,1-17H2/b32-26+,33-27+
InChIKeyYNMGHTNSGOKWOS-RPZUVYPISA-N
XLogP5.44
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine?
The IUPAC name of (E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine (CID 56655933) is (E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine.
What is the SMILES notation for (E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine?
The canonical SMILES for (E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine is c1c2c(nc3c1CCC/C3=N\OCCCO/N=C1\CCCc3cc4c(nc31)CCCC4)CCCC2.
What is the InChIKey of (E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine?
The InChIKey is YNMGHTNSGOKWOS-RPZUVYPISA-N. The full InChI is InChI=1S/C29H36N4O2/c1-3-12-24-20(8-1)18-22-10-5-14-26(28(22)30-24)32-34-16-7-17-35-33-27-15-6-11-23-19-21-9-2-4-13-25(21)31-29(23)27/h18-19H,1-17H2/b32-26+,33-27+.
What are the key properties of (E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine?
(E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine has a molecular weight of 472.63 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine is sourced from PubChem (CID 56655933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).