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

C14H28N2O2 — CID 135453887

IUPACN,N'-dihexylethane-1,2-diimine oxide
SMILESCCCCCC/[N+]([O-])=C/C=[N+](\[O-])CCCCCC
InChIInChI=1S/C14H28N2O2/c1-3-5-7-9-11-15(17)13-14-16(18)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3/b15-13-,16-14-
InChIKeyCYTCLCKQYGYQOF-VMNXYWKNSA-N
MW256.39 g/mol
LogP3.31
Rot. Bonds11

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

N,N'-dihexylethane-1,2-diimine oxide (PubChem CID 135453887) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N,N'-dihexylethane-1,2-diimine oxide.

Molecular Properties

Compound NameN,N'-dihexylethane-1,2-diimine oxide
PubChem CID135453887
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN,N'-dihexylethane-1,2-diimine oxide
SMILESCCCCCC/[N+]([O-])=C/C=[N+](\[O-])CCCCCC
InChIInChI=1S/C14H28N2O2/c1-3-5-7-9-11-15(17)13-14-16(18)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3/b15-13-,16-14-
InChIKeyCYTCLCKQYGYQOF-VMNXYWKNSA-N
XLogP3.31
TPSA52.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-dihexylethane-1,2-diimine oxide 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,N'-dihexylethane-1,2-diimine oxide?
The IUPAC name of N,N'-dihexylethane-1,2-diimine oxide (CID 135453887) is N,N'-dihexylethane-1,2-diimine oxide.
What is the SMILES notation for N,N'-dihexylethane-1,2-diimine oxide?
The canonical SMILES for N,N'-dihexylethane-1,2-diimine oxide is CCCCCC/[N+]([O-])=C/C=[N+](\[O-])CCCCCC.
What is the InChIKey of N,N'-dihexylethane-1,2-diimine oxide?
The InChIKey is CYTCLCKQYGYQOF-VMNXYWKNSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-5-7-9-11-15(17)13-14-16(18)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3/b15-13-,16-14-.
What are the key properties of N,N'-dihexylethane-1,2-diimine oxide?
N,N'-dihexylethane-1,2-diimine oxide has a molecular weight of 256.39 g/mol, XLogP of 3.31, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dihexylethane-1,2-diimine oxide is sourced from PubChem (CID 135453887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).