1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one

C9H16N2O — CID 768164

IUPAC1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESCC12CNCC(C)(CNC1)C2=O
InChIInChI=1S/C9H16N2O/c1-8-3-10-5-9(2,7(8)12)6-11-4-8/h10-11H,3-6H2,1-2H3
InChIKeyVAXDAORNOMZREO-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.23
Rot. Bonds

About 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one

1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one (PubChem CID 768164) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
PubChem CID768164
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESCC12CNCC(C)(CNC1)C2=O
InChIInChI=1S/C9H16N2O/c1-8-3-10-5-9(2,7(8)12)6-11-4-8/h10-11H,3-6H2,1-2H3
InChIKeyVAXDAORNOMZREO-UHFFFAOYSA-N
XLogP-0.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The IUPAC name of 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CID 768164) is 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one is CC12CNCC(C)(CNC1)C2=O.
What is the InChIKey of 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The InChIKey is VAXDAORNOMZREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8-3-10-5-9(2,7(8)12)6-11-4-8/h10-11H,3-6H2,1-2H3.
What are the key properties of 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one has a molecular weight of 168.24 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 768164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).