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

C19H30N6O3 — CID 90132862

IUPAC(E)-N-[[4,6-bis[[(E)-pentan-2-ylideneamino]oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine
SMILESCCC/C(C)=N/Oc1nc(ON=C2CCCCC2)nc(O/N=C(\C)CCC)n1
InChIInChI=1S/C19H30N6O3/c1-5-10-14(3)23-26-17-20-18(27-24-15(4)11-6-2)22-19(21-17)28-25-16-12-8-7-9-13-16/h5-13H2,1-4H3/b23-14+,24-15+
InChIKeyXQTFSKWLODUSJM-OZEVPFDHSA-N
MW390.49 g/mol
LogP4.68
Rot. Bonds10

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

(E)-N-[[4,6-bis[[(E)-pentan-2-ylideneamino]oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine (PubChem CID 90132862) has the molecular formula C19H30N6O3 and a molecular weight of 390.49 g/mol. Its IUPAC name is (E)-N-[[4,6-bis[[(E)-pentan-2-ylideneamino]oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine.

Molecular Properties

Compound Name(E)-N-[[4,6-bis[[(E)-pentan-2-ylideneamino]oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine
PubChem CID90132862
Molecular FormulaC19H30N6O3
Molecular Weight390.49 g/mol
Exact Mass390.24
IUPAC Name(E)-N-[[4,6-bis[[(E)-pentan-2-ylideneamino]oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine
SMILESCCC/C(C)=N/Oc1nc(ON=C2CCCCC2)nc(O/N=C(\C)CCC)n1
InChIInChI=1S/C19H30N6O3/c1-5-10-14(3)23-26-17-20-18(27-24-15(4)11-6-2)22-19(21-17)28-25-16-12-8-7-9-13-16/h5-13H2,1-4H3/b23-14+,24-15+
InChIKeyXQTFSKWLODUSJM-OZEVPFDHSA-N
XLogP4.68
TPSA103.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.68
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 (E)-N-[[4,6-bis[[(E)-pentan-2-ylideneamino]oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine with MolForge

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Related Compounds

N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine
CID 87532624
N-[[4,6-bis[(cyclododecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclododecanimine
CID 87242098
N-[[4,6-bis[(cyclononylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclononanimine
CID 87532245
N-[[4-chloro-6-(cyclododecylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclododecanimine
CID 87532297
N-[[4,6-bis[(cyclopentadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclopentadecanimine
CID 87532300
N-[[4-chloro-6-(cycloundecylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cycloundecanimine
CID 87532302
N-[[4-chloro-6-(cyclotridecylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclotridecanimine
CID 87532303
N-[[4,6-bis[(cyclotetradecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclotetradecanimine
CID 87532304
N-[[4-chloro-6-(cyclohexylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclohexanimine
CID 87532308
N-[[4,6-bis[(cycloundecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cycloundecanimine
CID 87532311
N-[[4,6-bis[(cyclooctadecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclooctadecanimine
CID 87532314
N-[[4,6-bis[(cyclohexylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine
CID 87532370

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4,6-bis[[(E)-pentan-2-ylideneamino]oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine?
The IUPAC name of (E)-N-[[4,6-bis[[(E)-pentan-2-ylideneamino]oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine (CID 90132862) is (E)-N-[[4,6-bis[[(E)-pentan-2-ylideneamino]oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine.
What is the SMILES notation for (E)-N-[[4,6-bis[[(E)-pentan-2-ylideneamino]oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine?
The canonical SMILES for (E)-N-[[4,6-bis[[(E)-pentan-2-ylideneamino]oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine is CCC/C(C)=N/Oc1nc(ON=C2CCCCC2)nc(O/N=C(\C)CCC)n1.
What is the InChIKey of (E)-N-[[4,6-bis[[(E)-pentan-2-ylideneamino]oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine?
The InChIKey is XQTFSKWLODUSJM-OZEVPFDHSA-N. The full InChI is InChI=1S/C19H30N6O3/c1-5-10-14(3)23-26-17-20-18(27-24-15(4)11-6-2)22-19(21-17)28-25-16-12-8-7-9-13-16/h5-13H2,1-4H3/b23-14+,24-15+.
What are the key properties of (E)-N-[[4,6-bis[[(E)-pentan-2-ylideneamino]oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine?
(E)-N-[[4,6-bis[[(E)-pentan-2-ylideneamino]oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine has a molecular weight of 390.49 g/mol, XLogP of 4.68, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4,6-bis[[(E)-pentan-2-ylideneamino]oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine is sourced from PubChem (CID 90132862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).