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

C11H21ClN2O — CID 22504473

IUPAC8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one;hydrochloride
SMILESCN(C)CC1CCC2CN1CCC2=O.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-12(2)8-10-4-3-9-7-13(10)6-5-11(9)14;/h9-10H,3-8H2,1-2H3;1H
InChIKeyBGHQTBOLEKQSSE-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.02
Rot. Bonds2

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

8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one;hydrochloride (PubChem CID 22504473) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one;hydrochloride.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one;hydrochloride
PubChem CID22504473
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one;hydrochloride
SMILESCN(C)CC1CCC2CN1CCC2=O.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-12(2)8-10-4-3-9-7-13(10)6-5-11(9)14;/h9-10H,3-8H2,1-2H3;1H
InChIKeyBGHQTBOLEKQSSE-UHFFFAOYSA-N
XLogP1.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.02
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;hydrochloride?
The IUPAC name of 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one;hydrochloride (CID 22504473) is 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one;hydrochloride.
What is the SMILES notation for 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one;hydrochloride?
The canonical SMILES for 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one;hydrochloride is CN(C)CC1CCC2CN1CCC2=O.Cl.
What is the InChIKey of 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one;hydrochloride?
The InChIKey is BGHQTBOLEKQSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c1-12(2)8-10-4-3-9-7-13(10)6-5-11(9)14;/h9-10H,3-8H2,1-2H3;1H.
What are the key properties of 8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one;hydrochloride?
8-[(dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.02, 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;hydrochloride is sourced from PubChem (CID 22504473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).