8-N,8-N-diethyl-2-oxabicyclo[4.2.0]octane-7,8-diamine

C11H22N2O — CID 79677590

IUPAC8-N,8-N-diethyl-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESCCN(CC)C1C(N)C2CCCOC21
InChIInChI=1S/C11H22N2O/c1-3-13(4-2)10-9(12)8-6-5-7-14-11(8)10/h8-11H,3-7,12H2,1-2H3
InChIKeyOKIMJGVVNWDRQA-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.83
Rot. Bonds3

About 8-N,8-N-diethyl-2-oxabicyclo[4.2.0]octane-7,8-diamine

8-N,8-N-diethyl-2-oxabicyclo[4.2.0]octane-7,8-diamine (PubChem CID 79677590) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 8-N,8-N-diethyl-2-oxabicyclo[4.2.0]octane-7,8-diamine.

Molecular Properties

Compound Name8-N,8-N-diethyl-2-oxabicyclo[4.2.0]octane-7,8-diamine
PubChem CID79677590
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name8-N,8-N-diethyl-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESCCN(CC)C1C(N)C2CCCOC21
InChIInChI=1S/C11H22N2O/c1-3-13(4-2)10-9(12)8-6-5-7-14-11(8)10/h8-11H,3-7,12H2,1-2H3
InChIKeyOKIMJGVVNWDRQA-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-N,8-N-diethyl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The IUPAC name of 8-N,8-N-diethyl-2-oxabicyclo[4.2.0]octane-7,8-diamine (CID 79677590) is 8-N,8-N-diethyl-2-oxabicyclo[4.2.0]octane-7,8-diamine.
What is the SMILES notation for 8-N,8-N-diethyl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The canonical SMILES for 8-N,8-N-diethyl-2-oxabicyclo[4.2.0]octane-7,8-diamine is CCN(CC)C1C(N)C2CCCOC21.
What is the InChIKey of 8-N,8-N-diethyl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The InChIKey is OKIMJGVVNWDRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-13(4-2)10-9(12)8-6-5-7-14-11(8)10/h8-11H,3-7,12H2,1-2H3.
What are the key properties of 8-N,8-N-diethyl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
8-N,8-N-diethyl-2-oxabicyclo[4.2.0]octane-7,8-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,8-N-diethyl-2-oxabicyclo[4.2.0]octane-7,8-diamine is sourced from PubChem (CID 79677590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).