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

C15H20ClN5O2 — CID 87532308

IUPACN-[[4-chloro-6-(cyclohexylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclohexanimine
SMILESClc1nc(ON=C2CCCCC2)nc(ON=C2CCCCC2)n1
InChIInChI=1S/C15H20ClN5O2/c16-13-17-14(22-20-11-7-3-1-4-8-11)19-15(18-13)23-21-12-9-5-2-6-10-12/h1-10H2
InChIKeyABAZBQFCUVWUER-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.92
Rot. Bonds4

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

N-[[4-chloro-6-(cyclohexylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclohexanimine (PubChem CID 87532308) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[[4-chloro-6-(cyclohexylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclohexanimine.

Molecular Properties

Compound NameN-[[4-chloro-6-(cyclohexylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclohexanimine
PubChem CID87532308
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC NameN-[[4-chloro-6-(cyclohexylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclohexanimine
SMILESClc1nc(ON=C2CCCCC2)nc(ON=C2CCCCC2)n1
InChIInChI=1S/C15H20ClN5O2/c16-13-17-14(22-20-11-7-3-1-4-8-11)19-15(18-13)23-21-12-9-5-2-6-10-12/h1-10H2
InChIKeyABAZBQFCUVWUER-UHFFFAOYSA-N
XLogP3.92
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-chloro-6-(cyclohexylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclohexanimine?
The IUPAC name of N-[[4-chloro-6-(cyclohexylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclohexanimine (CID 87532308) is N-[[4-chloro-6-(cyclohexylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclohexanimine.
What is the SMILES notation for N-[[4-chloro-6-(cyclohexylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclohexanimine?
The canonical SMILES for N-[[4-chloro-6-(cyclohexylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclohexanimine is Clc1nc(ON=C2CCCCC2)nc(ON=C2CCCCC2)n1.
What is the InChIKey of N-[[4-chloro-6-(cyclohexylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclohexanimine?
The InChIKey is ABAZBQFCUVWUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2/c16-13-17-14(22-20-11-7-3-1-4-8-11)19-15(18-13)23-21-12-9-5-2-6-10-12/h1-10H2.
What are the key properties of N-[[4-chloro-6-(cyclohexylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclohexanimine?
N-[[4-chloro-6-(cyclohexylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclohexanimine has a molecular weight of 337.81 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-6-(cyclohexylideneamino)oxy-1,3,5-triazin-2-yl]oxy]cyclohexanimine is sourced from PubChem (CID 87532308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).