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

C12H24N2O — CID 70409149

IUPAC(6R,9R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCCN1CC2CC[C@@H](N(C)C)C(C1)[C@@H]2O
InChIInChI=1S/C12H24N2O/c1-4-14-7-9-5-6-11(13(2)3)10(8-14)12(9)15/h9-12,15H,4-8H2,1-3H3/t9?,10?,11-,12-/m1/s1
InChIKeyMPVWLHLGPIQWFR-KIDURHIOSA-N
MW212.34 g/mol
LogP0.64
Rot. Bonds2

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

(6R,9R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 70409149) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (6R,9R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(6R,9R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-ol
PubChem CID70409149
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(6R,9R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCCN1CC2CC[C@@H](N(C)C)C(C1)[C@@H]2O
InChIInChI=1S/C12H24N2O/c1-4-14-7-9-5-6-11(13(2)3)10(8-14)12(9)15/h9-12,15H,4-8H2,1-3H3/t9?,10?,11-,12-/m1/s1
InChIKeyMPVWLHLGPIQWFR-KIDURHIOSA-N
XLogP0.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,9R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (6R,9R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-ol (CID 70409149) is (6R,9R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (6R,9R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (6R,9R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-ol is CCN1CC2CC[C@@H](N(C)C)C(C1)[C@@H]2O.
What is the InChIKey of (6R,9R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is MPVWLHLGPIQWFR-KIDURHIOSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-14-7-9-5-6-11(13(2)3)10(8-14)12(9)15/h9-12,15H,4-8H2,1-3H3/t9?,10?,11-,12-/m1/s1.
What are the key properties of (6R,9R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-ol?
(6R,9R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 212.34 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,9R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 70409149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).