3-(3-methylbut-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol

C13H23NO — CID 171952857

IUPAC3-(3-methylbut-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCC(C)=CCC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C13H23NO/c1-10(2)6-7-13(15)8-11-4-3-5-12(9-13)14-11/h6,11-12,14-15H,3-5,7-9H2,1-2H3
InChIKeyZSXKZYSEVNSULS-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.38
Rot. Bonds2

About 3-(3-methylbut-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(3-methylbut-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952857) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-(3-methylbut-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(3-methylbut-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952857
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-(3-methylbut-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCC(C)=CCC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C13H23NO/c1-10(2)6-7-13(15)8-11-4-3-5-12(9-13)14-11/h6,11-12,14-15H,3-5,7-9H2,1-2H3
InChIKeyZSXKZYSEVNSULS-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3-methylbut-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(3-methylbut-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952857) is 3-(3-methylbut-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(3-methylbut-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(3-methylbut-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol is CC(C)=CCC1(O)CC2CCCC(C1)N2.
What is the InChIKey of 3-(3-methylbut-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is ZSXKZYSEVNSULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)6-7-13(15)8-11-4-3-5-12(9-13)14-11/h6,11-12,14-15H,3-5,7-9H2,1-2H3.
What are the key properties of 3-(3-methylbut-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(3-methylbut-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 209.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).