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

C8H16N2O2 — CID 135504037

IUPACN,N'-dipropylethane-1,2-diimine oxide
SMILESCCC/[N+]([O-])=C/C=[N+](\[O-])CCC
InChIInChI=1S/C8H16N2O2/c1-3-5-9(11)7-8-10(12)6-4-2/h7-8H,3-6H2,1-2H3/b9-7-,10-8-
InChIKeyOAGHZZYBRYJBFG-XOHWUJONSA-N
MW172.23 g/mol
LogP0.97
Rot. Bonds5

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

N,N'-dipropylethane-1,2-diimine oxide (PubChem CID 135504037) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N,N'-dipropylethane-1,2-diimine oxide.

Molecular Properties

Compound NameN,N'-dipropylethane-1,2-diimine oxide
PubChem CID135504037
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN,N'-dipropylethane-1,2-diimine oxide
SMILESCCC/[N+]([O-])=C/C=[N+](\[O-])CCC
InChIInChI=1S/C8H16N2O2/c1-3-5-9(11)7-8-10(12)6-4-2/h7-8H,3-6H2,1-2H3/b9-7-,10-8-
InChIKeyOAGHZZYBRYJBFG-XOHWUJONSA-N
XLogP0.97
TPSA52.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.97
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

(Z)-butyl(butylidene)azane oxide
CID 10942551
N-Butylbutan-1-imine N-oxide
CID 71413839
N,N'-ditert-butylethane-1,2-diimine oxide
CID 140618790
N,N'-diethylethane-1,2-diimine oxide
CID 135546992
N,N'-di-t-butyl ethylidene dinitrone
CID 129828534
N,N'-dimethylethane-1,2-diimine oxide
CID 139226134
N,N'-dipentylethane-1,2-diimine oxide
CID 135452008
N,N'-dihexylethane-1,2-diimine oxide
CID 135453887
N,N'-dibutylethane-1,2-diimine oxide
CID 135480531
N,N'-di(propan-2-yl)pentane-1,5-diimine oxide
CID 59643789
N,N'-di(propan-2-yl)pentane-1,5-diimine oxide
CID 72345969
N,N'-diethylpentane-1,5-diimine oxide
CID 88537343

Frequently Asked Questions

What is the IUPAC name of N,N'-dipropylethane-1,2-diimine oxide?
The IUPAC name of N,N'-dipropylethane-1,2-diimine oxide (CID 135504037) is N,N'-dipropylethane-1,2-diimine oxide.
What is the SMILES notation for N,N'-dipropylethane-1,2-diimine oxide?
The canonical SMILES for N,N'-dipropylethane-1,2-diimine oxide is CCC/[N+]([O-])=C/C=[N+](\[O-])CCC.
What is the InChIKey of N,N'-dipropylethane-1,2-diimine oxide?
The InChIKey is OAGHZZYBRYJBFG-XOHWUJONSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-5-9(11)7-8-10(12)6-4-2/h7-8H,3-6H2,1-2H3/b9-7-,10-8-.
What are the key properties of N,N'-dipropylethane-1,2-diimine oxide?
N,N'-dipropylethane-1,2-diimine oxide has a molecular weight of 172.23 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipropylethane-1,2-diimine oxide is sourced from PubChem (CID 135504037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).