(6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol

C11H22N2O — CID 70408550

IUPAC(6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCN1CC2CC[C@H](N(C)C)C(C1)[C@H]2O
InChIInChI=1S/C11H22N2O/c1-12(2)10-5-4-8-6-13(3)7-9(10)11(8)14/h8-11,14H,4-7H2,1-3H3/t8?,9?,10-,11-/m0/s1
InChIKeyKJOZQPDRAILLFG-TVUZUIDESA-N
MW198.31 g/mol
LogP0.25
Rot. Bonds1

About (6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol

(6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 70408550) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol
PubChem CID70408550
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCN1CC2CC[C@H](N(C)C)C(C1)[C@H]2O
InChIInChI=1S/C11H22N2O/c1-12(2)10-5-4-8-6-13(3)7-9(10)11(8)14/h8-11,14H,4-7H2,1-3H3/t8?,9?,10-,11-/m0/s1
InChIKeyKJOZQPDRAILLFG-TVUZUIDESA-N
XLogP0.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol (CID 70408550) is (6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol is CN1CC2CC[C@H](N(C)C)C(C1)[C@H]2O.
What is the InChIKey of (6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is KJOZQPDRAILLFG-TVUZUIDESA-N. The full InChI is InChI=1S/C11H22N2O/c1-12(2)10-5-4-8-6-13(3)7-9(10)11(8)14/h8-11,14H,4-7H2,1-3H3/t8?,9?,10-,11-/m0/s1.
What are the key properties of (6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol?
(6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 198.31 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 70408550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).