(5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane

C12H23N — CID 146426777

IUPAC(5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane
SMILESCC(C)(C)N1CC2CCC[C@@H]1CC2
InChIInChI=1S/C12H23N/c1-12(2,3)13-9-10-5-4-6-11(13)8-7-10/h10-11H,4-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyISSFMOFVONYIMH-RRKGBCIJSA-N
MW181.32 g/mol
LogP3.05
Rot. Bonds

About (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane

(5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane (PubChem CID 146426777) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name(5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane
PubChem CID146426777
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane
SMILESCC(C)(C)N1CC2CCC[C@@H]1CC2
InChIInChI=1S/C12H23N/c1-12(2,3)13-9-10-5-4-6-11(13)8-7-10/h10-11H,4-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyISSFMOFVONYIMH-RRKGBCIJSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5R)-6-tert-butyl-6-azabicyclo[3.2.2]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 (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane?
The IUPAC name of (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane (CID 146426777) is (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane.
What is the SMILES notation for (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane?
The canonical SMILES for (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane is CC(C)(C)N1CC2CCC[C@@H]1CC2.
What is the InChIKey of (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane?
The InChIKey is ISSFMOFVONYIMH-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H23N/c1-12(2,3)13-9-10-5-4-6-11(13)8-7-10/h10-11H,4-9H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane?
(5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane has a molecular weight of 181.32 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 146426777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).