N,N'-diethylpentane-1,5-diimine oxide

C9H18N2O2 — CID 88537343

IUPACN,N'-diethylpentane-1,5-diimine oxide
SMILESCC[N+]([O-])=CCCCC=[N+]([O-])CC
InChIInChI=1S/C9H18N2O2/c1-3-10(12)8-6-5-7-9-11(13)4-2/h8-9H,3-7H2,1-2H3
InChIKeyDZNKXOFNTXONNJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.36
Rot. Bonds6

About N,N'-diethylpentane-1,5-diimine oxide

N,N'-diethylpentane-1,5-diimine oxide (PubChem CID 88537343) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N,N'-diethylpentane-1,5-diimine oxide.

Molecular Properties

Compound NameN,N'-diethylpentane-1,5-diimine oxide
PubChem CID88537343
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN,N'-diethylpentane-1,5-diimine oxide
SMILESCC[N+]([O-])=CCCCC=[N+]([O-])CC
InChIInChI=1S/C9H18N2O2/c1-3-10(12)8-6-5-7-9-11(13)4-2/h8-9H,3-7H2,1-2H3
InChIKeyDZNKXOFNTXONNJ-UHFFFAOYSA-N
XLogP1.36
TPSA52.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.36
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'-diethylpentane-1,5-diimine oxide?
The IUPAC name of N,N'-diethylpentane-1,5-diimine oxide (CID 88537343) is N,N'-diethylpentane-1,5-diimine oxide.
What is the SMILES notation for N,N'-diethylpentane-1,5-diimine oxide?
The canonical SMILES for N,N'-diethylpentane-1,5-diimine oxide is CC[N+]([O-])=CCCCC=[N+]([O-])CC.
What is the InChIKey of N,N'-diethylpentane-1,5-diimine oxide?
The InChIKey is DZNKXOFNTXONNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-10(12)8-6-5-7-9-11(13)4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of N,N'-diethylpentane-1,5-diimine oxide?
N,N'-diethylpentane-1,5-diimine oxide has a molecular weight of 186.25 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethylpentane-1,5-diimine oxide is sourced from PubChem (CID 88537343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).