3-[2-(dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol

C12H24N2O — CID 171952007

IUPAC3-[2-(dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN(C)CCC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C12H24N2O/c1-14(2)7-6-12(15)8-10-4-3-5-11(9-12)13-10/h10-11,13,15H,3-9H2,1-2H3
InChIKeyBSUJDOGSAJQSJP-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.97
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol

3-[2-(dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952007) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952007
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[2-(dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN(C)CCC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C12H24N2O/c1-14(2)7-6-12(15)8-10-4-3-5-11(9-12)13-10/h10-11,13,15H,3-9H2,1-2H3
InChIKeyBSUJDOGSAJQSJP-UHFFFAOYSA-N
XLogP0.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952007) is 3-[2-(dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol is CN(C)CCC1(O)CC2CCCC(C1)N2.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is BSUJDOGSAJQSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-14(2)7-6-12(15)8-10-4-3-5-11(9-12)13-10/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol?
3-[2-(dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 212.34 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).