6-prop-2-enyl-3-azabicyclo[3.3.1]nonane

C11H19N — CID 69171506

IUPAC6-prop-2-enyl-3-azabicyclo[3.3.1]nonane
SMILESC=CCC1CCC2CNCC1C2
InChIInChI=1S/C11H19N/c1-2-3-10-5-4-9-6-11(10)8-12-7-9/h2,9-12H,1,3-8H2
InChIKeyRSQRTBZHMRYTQS-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.20
Rot. Bonds2

About 6-prop-2-enyl-3-azabicyclo[3.3.1]nonane

6-prop-2-enyl-3-azabicyclo[3.3.1]nonane (PubChem CID 69171506) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 6-prop-2-enyl-3-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name6-prop-2-enyl-3-azabicyclo[3.3.1]nonane
PubChem CID69171506
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name6-prop-2-enyl-3-azabicyclo[3.3.1]nonane
SMILESC=CCC1CCC2CNCC1C2
InChIInChI=1S/C11H19N/c1-2-3-10-5-4-9-6-11(10)8-12-7-9/h2,9-12H,1,3-8H2
InChIKeyRSQRTBZHMRYTQS-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-prop-2-enyl-3-azabicyclo[3.3.1]nonane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-3-azabicyclo[3.3.1]nonane?
The IUPAC name of 6-prop-2-enyl-3-azabicyclo[3.3.1]nonane (CID 69171506) is 6-prop-2-enyl-3-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 6-prop-2-enyl-3-azabicyclo[3.3.1]nonane?
The canonical SMILES for 6-prop-2-enyl-3-azabicyclo[3.3.1]nonane is C=CCC1CCC2CNCC1C2.
What is the InChIKey of 6-prop-2-enyl-3-azabicyclo[3.3.1]nonane?
The InChIKey is RSQRTBZHMRYTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-3-10-5-4-9-6-11(10)8-12-7-9/h2,9-12H,1,3-8H2.
What are the key properties of 6-prop-2-enyl-3-azabicyclo[3.3.1]nonane?
6-prop-2-enyl-3-azabicyclo[3.3.1]nonane has a molecular weight of 165.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-3-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 69171506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).