N,N'-dicyclohexylethane-1,2-diimine oxide

C14H24N2O2 — CID 135504094

IUPACN,N'-dicyclohexylethane-1,2-diimine oxide
SMILES[O-]/[N+](=C\C=[N+](/[O-])C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H24N2O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h11-14H,1-10H2/b15-11-,16-12-
InChIKeyDETYMDLWHVMNPR-NFLUSIDLSA-N
MW252.36 g/mol
LogP2.81
Rot. Bonds3

About N,N'-dicyclohexylethane-1,2-diimine oxide

N,N'-dicyclohexylethane-1,2-diimine oxide (PubChem CID 135504094) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N,N'-dicyclohexylethane-1,2-diimine oxide.

Molecular Properties

Compound NameN,N'-dicyclohexylethane-1,2-diimine oxide
PubChem CID135504094
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN,N'-dicyclohexylethane-1,2-diimine oxide
SMILES[O-]/[N+](=C\C=[N+](/[O-])C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H24N2O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h11-14H,1-10H2/b15-11-,16-12-
InChIKeyDETYMDLWHVMNPR-NFLUSIDLSA-N
XLogP2.81
TPSA52.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Ethanediimine, N,N'-dicyclohexyl-
CID 533594
N-cyclohexylcyclohexanimine oxide
CID 44520120
N,N'-dicyclohexyl-2-nitropropane-1,3-diimine
CID 793958
N-cyclohexylpentan-1-imine oxide
CID 134894744
N,N'-bis[2-(hydroxyimino)cyclohexyl]ethanediimine N,N'-dioxide
CID 139210722
N-cyclohexylpropan-1-imine oxide
CID 5364527
N-cyclohexylbutan-1-imine oxide
CID 85857824
carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron
CID 50897517

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexylethane-1,2-diimine oxide?
The IUPAC name of N,N'-dicyclohexylethane-1,2-diimine oxide (CID 135504094) is N,N'-dicyclohexylethane-1,2-diimine oxide.
What is the SMILES notation for N,N'-dicyclohexylethane-1,2-diimine oxide?
The canonical SMILES for N,N'-dicyclohexylethane-1,2-diimine oxide is [O-]/[N+](=C\C=[N+](/[O-])C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N'-dicyclohexylethane-1,2-diimine oxide?
The InChIKey is DETYMDLWHVMNPR-NFLUSIDLSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h11-14H,1-10H2/b15-11-,16-12-.
What are the key properties of N,N'-dicyclohexylethane-1,2-diimine oxide?
N,N'-dicyclohexylethane-1,2-diimine oxide has a molecular weight of 252.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylethane-1,2-diimine oxide is sourced from PubChem (CID 135504094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).