1-butyl-3-azabicyclo[3.2.1]octane

C11H21N — CID 84765341

IUPAC1-butyl-3-azabicyclo[3.2.1]octane
SMILESCCCCC12CCC(CNC1)C2
InChIInChI=1S/C11H21N/c1-2-3-5-11-6-4-10(7-11)8-12-9-11/h10,12H,2-9H2,1H3
InChIKeyBPHXOFVZLDMZNK-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.57
Rot. Bonds3

About 1-butyl-3-azabicyclo[3.2.1]octane

1-butyl-3-azabicyclo[3.2.1]octane (PubChem CID 84765341) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-butyl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-butyl-3-azabicyclo[3.2.1]octane
PubChem CID84765341
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-butyl-3-azabicyclo[3.2.1]octane
SMILESCCCCC12CCC(CNC1)C2
InChIInChI=1S/C11H21N/c1-2-3-5-11-6-4-10(7-11)8-12-9-11/h10,12H,2-9H2,1H3
InChIKeyBPHXOFVZLDMZNK-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-butyl-3-azabicyclo[3.2.1]octane 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 1-butyl-3-azabicyclo[3.2.1]octane?
The IUPAC name of 1-butyl-3-azabicyclo[3.2.1]octane (CID 84765341) is 1-butyl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-butyl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-butyl-3-azabicyclo[3.2.1]octane is CCCCC12CCC(CNC1)C2.
What is the InChIKey of 1-butyl-3-azabicyclo[3.2.1]octane?
The InChIKey is BPHXOFVZLDMZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-5-11-6-4-10(7-11)8-12-9-11/h10,12H,2-9H2,1H3.
What are the key properties of 1-butyl-3-azabicyclo[3.2.1]octane?
1-butyl-3-azabicyclo[3.2.1]octane has a molecular weight of 167.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 84765341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).