2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine

C7H12N2O — CID 87967010

IUPAC2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine
SMILESNC1C=C2CC(N)C1CO2
InChIInChI=1S/C7H12N2O/c8-6-1-4-2-7(9)5(6)3-10-4/h1,5-7H,2-3,8-9H2
InChIKeyJVATYSGJFVRWJT-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.43
Rot. Bonds

About 2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine

2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine (PubChem CID 87967010) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine.

Molecular Properties

Compound Name2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine
PubChem CID87967010
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine
SMILESNC1C=C2CC(N)C1CO2
InChIInChI=1S/C7H12N2O/c8-6-1-4-2-7(9)5(6)3-10-4/h1,5-7H,2-3,8-9H2
InChIKeyJVATYSGJFVRWJT-UHFFFAOYSA-N
XLogP-0.43
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine
CID 102647565

Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine?
The IUPAC name of 2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine (CID 87967010) is 2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine.
What is the SMILES notation for 2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine?
The canonical SMILES for 2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine is NC1C=C2CC(N)C1CO2.
What is the InChIKey of 2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine?
The InChIKey is JVATYSGJFVRWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-6-1-4-2-7(9)5(6)3-10-4/h1,5-7H,2-3,8-9H2.
What are the key properties of 2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine?
2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine has a molecular weight of 140.19 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine is sourced from PubChem (CID 87967010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).