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

C10H20N2O2 — CID 135480531

IUPACN,N'-dibutylethane-1,2-diimine oxide
SMILESCCCC/[N+]([O-])=C/C=[N+](\[O-])CCCC
InChIInChI=1S/C10H20N2O2/c1-3-5-7-11(13)9-10-12(14)8-6-4-2/h9-10H,3-8H2,1-2H3/b11-9-,12-10-
InChIKeyAKMSROLHAZOXKZ-HWAYABPNSA-N
MW200.28 g/mol
LogP1.75
Rot. Bonds7

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

N,N'-dibutylethane-1,2-diimine oxide (PubChem CID 135480531) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N,N'-dibutylethane-1,2-diimine oxide.

Molecular Properties

Compound NameN,N'-dibutylethane-1,2-diimine oxide
PubChem CID135480531
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN,N'-dibutylethane-1,2-diimine oxide
SMILESCCCC/[N+]([O-])=C/C=[N+](\[O-])CCCC
InChIInChI=1S/C10H20N2O2/c1-3-5-7-11(13)9-10-12(14)8-6-4-2/h9-10H,3-8H2,1-2H3/b11-9-,12-10-
InChIKeyAKMSROLHAZOXKZ-HWAYABPNSA-N
XLogP1.75
TPSA52.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.75
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

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CID 140618790
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N,N'-diethylethane-1,2-diimine oxide
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CID 135452008
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N-butylethanimine oxide
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CID 59643789
N,N'-di(propan-2-yl)pentane-1,5-diimine oxide
CID 72345969
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Frequently Asked Questions

What is the IUPAC name of N,N'-dibutylethane-1,2-diimine oxide?
The IUPAC name of N,N'-dibutylethane-1,2-diimine oxide (CID 135480531) is N,N'-dibutylethane-1,2-diimine oxide.
What is the SMILES notation for N,N'-dibutylethane-1,2-diimine oxide?
The canonical SMILES for N,N'-dibutylethane-1,2-diimine oxide is CCCC/[N+]([O-])=C/C=[N+](\[O-])CCCC.
What is the InChIKey of N,N'-dibutylethane-1,2-diimine oxide?
The InChIKey is AKMSROLHAZOXKZ-HWAYABPNSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-5-7-11(13)9-10-12(14)8-6-4-2/h9-10H,3-8H2,1-2H3/b11-9-,12-10-.
What are the key properties of N,N'-dibutylethane-1,2-diimine oxide?
N,N'-dibutylethane-1,2-diimine oxide has a molecular weight of 200.28 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutylethane-1,2-diimine oxide is sourced from PubChem (CID 135480531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).