N-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine

C57H102N6O3 — CID 87532314

IUPACN-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine
SMILESC1CCCCCCCCC(=NOc2nc(ON=C3CCCCCCCCCCCCCCCCC3)nc(ON=C3CCCCCCCCCCCCCCCCC3)n2)CCCCCCCC1
InChIInChI=1S/C57H102N6O3/c1-4-10-16-22-28-34-40-46-52(47-41-35-29-23-17-11-5-1)61-64-55-58-56(65-62-53-48-42-36-30-24-18-12-6-2-7-13-19-25-31-37-43-49-53)60-57(59-55)66-63-54-50-44-38-32-26-20-14-8-3-9-15-21-27-33-39-45-51-54/h1-51H2
InChIKeyWUSXRERLMGSVBG-UHFFFAOYSA-N
MW919.48 g/mol
LogP19.01
Rot. Bonds6

About N-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine

N-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine (PubChem CID 87532314) has the molecular formula C57H102N6O3 and a molecular weight of 919.48 g/mol. Its IUPAC name is N-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine.

Molecular Properties

Compound NameN-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine
PubChem CID87532314
Molecular FormulaC57H102N6O3
Molecular Weight919.48 g/mol
Exact Mass918.80
IUPAC NameN-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine
SMILESC1CCCCCCCCC(=NOc2nc(ON=C3CCCCCCCCCCCCCCCCC3)nc(ON=C3CCCCCCCCCCCCCCCCC3)n2)CCCCCCCC1
InChIInChI=1S/C57H102N6O3/c1-4-10-16-22-28-34-40-46-52(47-41-35-29-23-17-11-5-1)61-64-55-58-56(65-62-53-48-42-36-30-24-18-12-6-2-7-13-19-25-31-37-43-49-53)60-57(59-55)66-63-54-50-44-38-32-26-20-14-8-3-9-15-21-27-33-39-45-51-54/h1-51H2
InChIKeyWUSXRERLMGSVBG-UHFFFAOYSA-N
XLogP19.01
TPSA103.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.48
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine 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 N-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine?
The IUPAC name of N-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine (CID 87532314) is N-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine.
What is the SMILES notation for N-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine?
The canonical SMILES for N-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine is C1CCCCCCCCC(=NOc2nc(ON=C3CCCCCCCCCCCCCCCCC3)nc(ON=C3CCCCCCCCCCCCCCCCC3)n2)CCCCCCCC1.
What is the InChIKey of N-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine?
The InChIKey is WUSXRERLMGSVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H102N6O3/c1-4-10-16-22-28-34-40-46-52(47-41-35-29-23-17-11-5-1)61-64-55-58-56(65-62-53-48-42-36-30-24-18-12-6-2-7-13-19-25-31-37-43-49-53)60-57(59-55)66-63-54-50-44-38-32-26-20-14-8-3-9-15-21-27-33-39-45-51-54/h1-51H2.
What are the key properties of N-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine?
N-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine has a molecular weight of 919.48 g/mol, XLogP of 19.01, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine is sourced from PubChem (CID 87532314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).