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

C21H30N6O3 — CID 87532370

IUPACN-[[4,6-bis[(cyclohexylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine
SMILESC1CCC(=NOc2nc(ON=C3CCCCC3)nc(ON=C3CCCCC3)n2)CC1
InChIInChI=1S/C21H30N6O3/c1-4-10-16(11-5-1)25-28-19-22-20(29-26-17-12-6-2-7-13-17)24-21(23-19)30-27-18-14-8-3-9-15-18/h1-15H2
InChIKeyUEWYWWKEGLOACU-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.97
Rot. Bonds6

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

N-[[4,6-bis[(cyclohexylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine (PubChem CID 87532370) has the molecular formula C21H30N6O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[[4,6-bis[(cyclohexylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine.

Molecular Properties

Compound NameN-[[4,6-bis[(cyclohexylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine
PubChem CID87532370
Molecular FormulaC21H30N6O3
Molecular Weight414.51 g/mol
Exact Mass414.24
IUPAC NameN-[[4,6-bis[(cyclohexylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine
SMILESC1CCC(=NOc2nc(ON=C3CCCCC3)nc(ON=C3CCCCC3)n2)CC1
InChIInChI=1S/C21H30N6O3/c1-4-10-16(11-5-1)25-28-19-22-20(29-26-17-12-6-2-7-13-17)24-21(23-19)30-27-18-14-8-3-9-15-18/h1-15H2
InChIKeyUEWYWWKEGLOACU-UHFFFAOYSA-N
XLogP4.97
TPSA103.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.97
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis[(cyclohexylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine?
The IUPAC name of N-[[4,6-bis[(cyclohexylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine (CID 87532370) is N-[[4,6-bis[(cyclohexylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine.
What is the SMILES notation for N-[[4,6-bis[(cyclohexylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine?
The canonical SMILES for N-[[4,6-bis[(cyclohexylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine is C1CCC(=NOc2nc(ON=C3CCCCC3)nc(ON=C3CCCCC3)n2)CC1.
What is the InChIKey of N-[[4,6-bis[(cyclohexylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine?
The InChIKey is UEWYWWKEGLOACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O3/c1-4-10-16(11-5-1)25-28-19-22-20(29-26-17-12-6-2-7-13-17)24-21(23-19)30-27-18-14-8-3-9-15-18/h1-15H2.
What are the key properties of N-[[4,6-bis[(cyclohexylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine?
N-[[4,6-bis[(cyclohexylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine has a molecular weight of 414.51 g/mol, XLogP of 4.97, 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[(cyclohexylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine is sourced from PubChem (CID 87532370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).