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

C12H24N2O2 — CID 135452008

IUPACN,N'-dipentylethane-1,2-diimine oxide
SMILESCCCCC/[N+]([O-])=C/C=[N+](\[O-])CCCCC
InChIInChI=1S/C12H24N2O2/c1-3-5-7-9-13(15)11-12-14(16)10-8-6-4-2/h11-12H,3-10H2,1-2H3/b13-11-,14-12-
InChIKeyVYINCNVWGWLLRS-XSYHWHKQSA-N
MW228.34 g/mol
LogP2.53
Rot. Bonds9

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

N,N'-dipentylethane-1,2-diimine oxide (PubChem CID 135452008) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N,N'-dipentylethane-1,2-diimine oxide.

Molecular Properties

Compound NameN,N'-dipentylethane-1,2-diimine oxide
PubChem CID135452008
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN,N'-dipentylethane-1,2-diimine oxide
SMILESCCCCC/[N+]([O-])=C/C=[N+](\[O-])CCCCC
InChIInChI=1S/C12H24N2O2/c1-3-5-7-9-13(15)11-12-14(16)10-8-6-4-2/h11-12H,3-10H2,1-2H3/b13-11-,14-12-
InChIKeyVYINCNVWGWLLRS-XSYHWHKQSA-N
XLogP2.53
TPSA52.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.53
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dipentylethane-1,2-diimine oxide?
The IUPAC name of N,N'-dipentylethane-1,2-diimine oxide (CID 135452008) is N,N'-dipentylethane-1,2-diimine oxide.
What is the SMILES notation for N,N'-dipentylethane-1,2-diimine oxide?
The canonical SMILES for N,N'-dipentylethane-1,2-diimine oxide is CCCCC/[N+]([O-])=C/C=[N+](\[O-])CCCCC.
What is the InChIKey of N,N'-dipentylethane-1,2-diimine oxide?
The InChIKey is VYINCNVWGWLLRS-XSYHWHKQSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-5-7-9-13(15)11-12-14(16)10-8-6-4-2/h11-12H,3-10H2,1-2H3/b13-11-,14-12-.
What are the key properties of N,N'-dipentylethane-1,2-diimine oxide?
N,N'-dipentylethane-1,2-diimine oxide has a molecular weight of 228.34 g/mol, XLogP of 2.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipentylethane-1,2-diimine oxide is sourced from PubChem (CID 135452008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).