2-butan-2-ylidene-8-azabicyclo[3.2.1]octane

C11H19N — CID 91355309

IUPAC2-butan-2-ylidene-8-azabicyclo[3.2.1]octane
SMILESCCC(C)=C1CCC2CCC1N2
InChIInChI=1S/C11H19N/c1-3-8(2)10-6-4-9-5-7-11(10)12-9/h9,11-12H,3-7H2,1-2H3
InChIKeyNGCNIGYPAAZMAT-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.63
Rot. Bonds1

About 2-butan-2-ylidene-8-azabicyclo[3.2.1]octane

2-butan-2-ylidene-8-azabicyclo[3.2.1]octane (PubChem CID 91355309) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-butan-2-ylidene-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-butan-2-ylidene-8-azabicyclo[3.2.1]octane
PubChem CID91355309
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-butan-2-ylidene-8-azabicyclo[3.2.1]octane
SMILESCCC(C)=C1CCC2CCC1N2
InChIInChI=1S/C11H19N/c1-3-8(2)10-6-4-9-5-7-11(10)12-9/h9,11-12H,3-7H2,1-2H3
InChIKeyNGCNIGYPAAZMAT-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.63
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 2-butan-2-ylidene-8-azabicyclo[3.2.1]octane?
The IUPAC name of 2-butan-2-ylidene-8-azabicyclo[3.2.1]octane (CID 91355309) is 2-butan-2-ylidene-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-butan-2-ylidene-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-butan-2-ylidene-8-azabicyclo[3.2.1]octane is CCC(C)=C1CCC2CCC1N2.
What is the InChIKey of 2-butan-2-ylidene-8-azabicyclo[3.2.1]octane?
The InChIKey is NGCNIGYPAAZMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-8(2)10-6-4-9-5-7-11(10)12-9/h9,11-12H,3-7H2,1-2H3.
What are the key properties of 2-butan-2-ylidene-8-azabicyclo[3.2.1]octane?
2-butan-2-ylidene-8-azabicyclo[3.2.1]octane has a molecular weight of 165.28 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylidene-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 91355309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).