(6S)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one

C12H22N2O — CID 15068664

IUPAC(6S)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one
SMILESCCN1CC2CC[C@H](N(C)C)C(C1)C2=O
InChIInChI=1S/C12H22N2O/c1-4-14-7-9-5-6-11(13(2)3)10(8-14)12(9)15/h9-11H,4-8H2,1-3H3/t9?,10?,11-/m0/s1
InChIKeyPJGTYZAKVMUIAZ-ILDUYXDCSA-N
MW210.32 g/mol
LogP0.85
Rot. Bonds2

About (6S)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one

(6S)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one (PubChem CID 15068664) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (6S)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name(6S)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one
PubChem CID15068664
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(6S)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one
SMILESCCN1CC2CC[C@H](N(C)C)C(C1)C2=O
InChIInChI=1S/C12H22N2O/c1-4-14-7-9-5-6-11(13(2)3)10(8-14)12(9)15/h9-11H,4-8H2,1-3H3/t9?,10?,11-/m0/s1
InChIKeyPJGTYZAKVMUIAZ-ILDUYXDCSA-N
XLogP0.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one?
The IUPAC name of (6S)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one (CID 15068664) is (6S)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for (6S)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for (6S)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one is CCN1CC2CC[C@H](N(C)C)C(C1)C2=O.
What is the InChIKey of (6S)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one?
The InChIKey is PJGTYZAKVMUIAZ-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-14-7-9-5-6-11(13(2)3)10(8-14)12(9)15/h9-11H,4-8H2,1-3H3/t9?,10?,11-/m0/s1.
What are the key properties of (6S)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one?
(6S)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one has a molecular weight of 210.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 15068664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).