8-tert-butyl-8-azabicyclo[4.3.2]undecane

C14H27N — CID 58967763

IUPAC8-tert-butyl-8-azabicyclo[4.3.2]undecane
SMILESCC(C)(C)N1CC2CCCCC(CC2)C1
InChIInChI=1S/C14H27N/c1-14(2,3)15-10-12-6-4-5-7-13(11-15)9-8-12/h12-13H,4-11H2,1-3H3
InChIKeyGMMWGFHCFJWTAU-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.69
Rot. Bonds

About 8-tert-butyl-8-azabicyclo[4.3.2]undecane

8-tert-butyl-8-azabicyclo[4.3.2]undecane (PubChem CID 58967763) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 8-tert-butyl-8-azabicyclo[4.3.2]undecane.

Molecular Properties

Compound Name8-tert-butyl-8-azabicyclo[4.3.2]undecane
PubChem CID58967763
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name8-tert-butyl-8-azabicyclo[4.3.2]undecane
SMILESCC(C)(C)N1CC2CCCCC(CC2)C1
InChIInChI=1S/C14H27N/c1-14(2,3)15-10-12-6-4-5-7-13(11-15)9-8-12/h12-13H,4-11H2,1-3H3
InChIKeyGMMWGFHCFJWTAU-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-tert-butyl-8-azabicyclo[4.3.2]undecane 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 8-tert-butyl-8-azabicyclo[4.3.2]undecane?
The IUPAC name of 8-tert-butyl-8-azabicyclo[4.3.2]undecane (CID 58967763) is 8-tert-butyl-8-azabicyclo[4.3.2]undecane.
What is the SMILES notation for 8-tert-butyl-8-azabicyclo[4.3.2]undecane?
The canonical SMILES for 8-tert-butyl-8-azabicyclo[4.3.2]undecane is CC(C)(C)N1CC2CCCCC(CC2)C1.
What is the InChIKey of 8-tert-butyl-8-azabicyclo[4.3.2]undecane?
The InChIKey is GMMWGFHCFJWTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-14(2,3)15-10-12-6-4-5-7-13(11-15)9-8-12/h12-13H,4-11H2,1-3H3.
What are the key properties of 8-tert-butyl-8-azabicyclo[4.3.2]undecane?
8-tert-butyl-8-azabicyclo[4.3.2]undecane has a molecular weight of 209.38 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-8-azabicyclo[4.3.2]undecane is sourced from PubChem (CID 58967763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).