8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one

C11H20N2O — CID 22504474

IUPAC8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one
SMILESCN(C)CC1CCC2CN1CCC2=O
InChIInChI=1S/C11H20N2O/c1-12(2)8-10-4-3-9-7-13(10)6-5-11(9)14/h9-10H,3-8H2,1-2H3
InChIKeyZSYMJMYCGPHKBY-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.60
Rot. Bonds2

About 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one

8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one (PubChem CID 22504474) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one
PubChem CID22504474
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one
SMILESCN(C)CC1CCC2CN1CCC2=O
InChIInChI=1S/C11H20N2O/c1-12(2)8-10-4-3-9-7-13(10)6-5-11(9)14/h9-10H,3-8H2,1-2H3
InChIKeyZSYMJMYCGPHKBY-UHFFFAOYSA-N
XLogP0.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one?
The IUPAC name of 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one (CID 22504474) is 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one.
What is the SMILES notation for 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one?
The canonical SMILES for 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one is CN(C)CC1CCC2CN1CCC2=O.
What is the InChIKey of 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one?
The InChIKey is ZSYMJMYCGPHKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12(2)8-10-4-3-9-7-13(10)6-5-11(9)14/h9-10H,3-8H2,1-2H3.
What are the key properties of 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one?
8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one has a molecular weight of 196.29 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one is sourced from PubChem (CID 22504474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).