3-propan-2-ylidene-8-azabicyclo[3.2.1]octane

C10H17N — CID 89041767

IUPAC3-propan-2-ylidene-8-azabicyclo[3.2.1]octane
SMILESCC(C)=C1CC2CCC(C1)N2
InChIInChI=1S/C10H17N/c1-7(2)8-5-9-3-4-10(6-8)11-9/h9-11H,3-6H2,1-2H3
InChIKeyHMGRXLZCDWUQRE-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.24
Rot. Bonds

About 3-propan-2-ylidene-8-azabicyclo[3.2.1]octane

3-propan-2-ylidene-8-azabicyclo[3.2.1]octane (PubChem CID 89041767) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-propan-2-ylidene-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-propan-2-ylidene-8-azabicyclo[3.2.1]octane
PubChem CID89041767
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-propan-2-ylidene-8-azabicyclo[3.2.1]octane
SMILESCC(C)=C1CC2CCC(C1)N2
InChIInChI=1S/C10H17N/c1-7(2)8-5-9-3-4-10(6-8)11-9/h9-11H,3-6H2,1-2H3
InChIKeyHMGRXLZCDWUQRE-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.24
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 3-propan-2-ylidene-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-propan-2-ylidene-8-azabicyclo[3.2.1]octane (CID 89041767) is 3-propan-2-ylidene-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-propan-2-ylidene-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-propan-2-ylidene-8-azabicyclo[3.2.1]octane is CC(C)=C1CC2CCC(C1)N2.
What is the InChIKey of 3-propan-2-ylidene-8-azabicyclo[3.2.1]octane?
The InChIKey is HMGRXLZCDWUQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)8-5-9-3-4-10(6-8)11-9/h9-11H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-ylidene-8-azabicyclo[3.2.1]octane?
3-propan-2-ylidene-8-azabicyclo[3.2.1]octane has a molecular weight of 151.25 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylidene-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 89041767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).