(2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane

C13H25N — CID 59781495

IUPAC(2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane
SMILESCC(C)[C@H]1C2CCN(CC2)[C@H]1C(C)C
InChIInChI=1S/C13H25N/c1-9(2)12-11-5-7-14(8-6-11)13(12)10(3)4/h9-13H,5-8H2,1-4H3/t12-,13-/m0/s1
InChIKeyAJPJWYOIFXYXTO-STQMWFEESA-N
MW195.35 g/mol
LogP3.01
Rot. Bonds2

About (2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane

(2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 59781495) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane
PubChem CID59781495
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane
SMILESCC(C)[C@H]1C2CCN(CC2)[C@H]1C(C)C
InChIInChI=1S/C13H25N/c1-9(2)12-11-5-7-14(8-6-11)13(12)10(3)4/h9-13H,5-8H2,1-4H3/t12-,13-/m0/s1
InChIKeyAJPJWYOIFXYXTO-STQMWFEESA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]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 (2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of (2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane (CID 59781495) is (2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane is CC(C)[C@H]1C2CCN(CC2)[C@H]1C(C)C.
What is the InChIKey of (2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is AJPJWYOIFXYXTO-STQMWFEESA-N. The full InChI is InChI=1S/C13H25N/c1-9(2)12-11-5-7-14(8-6-11)13(12)10(3)4/h9-13H,5-8H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of (2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane?
(2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 195.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 59781495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).