(6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one

C12H22N2O — CID 15068663

IUPAC(6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one
SMILESCCN1CC2CC[C@@H](N(C)C)C(C1)C2=O
InChIInChI=1S/C12H22N2O/c1-4-14-7-9-5-6-11(13(2)3)10(8-14)12(9)15/h9-11H,4-8H2,1-3H3/t9?,10?,11-/m1/s1
InChIKeyPJGTYZAKVMUIAZ-VQXHTEKXSA-N
MW210.32 g/mol
LogP0.85
Rot. Bonds2

About (6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one

(6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one (PubChem CID 15068663) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name(6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one
PubChem CID15068663
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one
SMILESCCN1CC2CC[C@@H](N(C)C)C(C1)C2=O
InChIInChI=1S/C12H22N2O/c1-4-14-7-9-5-6-11(13(2)3)10(8-14)12(9)15/h9-11H,4-8H2,1-3H3/t9?,10?,11-/m1/s1
InChIKeyPJGTYZAKVMUIAZ-VQXHTEKXSA-N
XLogP0.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one 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 (6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one?
The IUPAC name of (6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one (CID 15068663) is (6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for (6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for (6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one is CCN1CC2CC[C@@H](N(C)C)C(C1)C2=O.
What is the InChIKey of (6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one?
The InChIKey is PJGTYZAKVMUIAZ-VQXHTEKXSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-14-7-9-5-6-11(13(2)3)10(8-14)12(9)15/h9-11H,4-8H2,1-3H3/t9?,10?,11-/m1/s1.
What are the key properties of (6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one?
(6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one has a molecular weight of 210.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 15068663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).