8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene

C9H15N — CID 89369039

IUPAC8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene
SMILESCC1(C)CC2C=CC1CN2
InChIInChI=1S/C9H15N/c1-9(2)5-8-4-3-7(9)6-10-8/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyMZNSTLHCIJGTFI-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.56
Rot. Bonds

About 8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene

8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene (PubChem CID 89369039) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene.

Molecular Properties

Compound Name8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene
PubChem CID89369039
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene
SMILESCC1(C)CC2C=CC1CN2
InChIInChI=1S/C9H15N/c1-9(2)5-8-4-3-7(9)6-10-8/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyMZNSTLHCIJGTFI-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene?
The IUPAC name of 8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene (CID 89369039) is 8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene.
What is the SMILES notation for 8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene?
The canonical SMILES for 8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene is CC1(C)CC2C=CC1CN2.
What is the InChIKey of 8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene?
The InChIKey is MZNSTLHCIJGTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-9(2)5-8-4-3-7(9)6-10-8/h3-4,7-8,10H,5-6H2,1-2H3.
What are the key properties of 8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene?
8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene has a molecular weight of 137.23 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene is sourced from PubChem (CID 89369039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).