(6R)-6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one

C13H24N2O — CID 15068667

IUPAC(6R)-6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one
SMILESCCN(CC)[C@@H]1CCC2CN(C)CC1C2=O
InChIInChI=1S/C13H24N2O/c1-4-15(5-2)12-7-6-10-8-14(3)9-11(12)13(10)16/h10-12H,4-9H2,1-3H3/t10?,11?,12-/m1/s1
InChIKeyOFAZVWJKWLSDLY-HTAVTVPLSA-N
MW224.35 g/mol
LogP1.24
Rot. Bonds3

About (6R)-6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one

(6R)-6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one (PubChem CID 15068667) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (6R)-6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name(6R)-6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one
PubChem CID15068667
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(6R)-6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one
SMILESCCN(CC)[C@@H]1CCC2CN(C)CC1C2=O
InChIInChI=1S/C13H24N2O/c1-4-15(5-2)12-7-6-10-8-14(3)9-11(12)13(10)16/h10-12H,4-9H2,1-3H3/t10?,11?,12-/m1/s1
InChIKeyOFAZVWJKWLSDLY-HTAVTVPLSA-N
XLogP1.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one?
The IUPAC name of (6R)-6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one (CID 15068667) is (6R)-6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for (6R)-6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for (6R)-6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one is CCN(CC)[C@@H]1CCC2CN(C)CC1C2=O.
What is the InChIKey of (6R)-6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one?
The InChIKey is OFAZVWJKWLSDLY-HTAVTVPLSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-15(5-2)12-7-6-10-8-14(3)9-11(12)13(10)16/h10-12H,4-9H2,1-3H3/t10?,11?,12-/m1/s1.
What are the key properties of (6R)-6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one?
(6R)-6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one has a molecular weight of 224.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 15068667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).