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

C9H17ClN2O — CID 69011048

IUPAC1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;hydrochloride
SMILESCC12CNCC(C)(CNC1)C2=O.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-8-3-10-5-9(2,7(8)12)6-11-4-8;/h10-11H,3-6H2,1-2H3;1H
InChIKeyKTEDIHLKZFUABZ-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.20
Rot. Bonds

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

1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;hydrochloride (PubChem CID 69011048) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;hydrochloride.

Molecular Properties

Compound Name1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;hydrochloride
PubChem CID69011048
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;hydrochloride
SMILESCC12CNCC(C)(CNC1)C2=O.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-8-3-10-5-9(2,7(8)12)6-11-4-8;/h10-11H,3-6H2,1-2H3;1H
InChIKeyKTEDIHLKZFUABZ-UHFFFAOYSA-N
XLogP0.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.20
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;hydrochloride?
The IUPAC name of 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;hydrochloride (CID 69011048) is 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;hydrochloride.
What is the SMILES notation for 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;hydrochloride?
The canonical SMILES for 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;hydrochloride is CC12CNCC(C)(CNC1)C2=O.Cl.
What is the InChIKey of 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;hydrochloride?
The InChIKey is KTEDIHLKZFUABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c1-8-3-10-5-9(2,7(8)12)6-11-4-8;/h10-11H,3-6H2,1-2H3;1H.
What are the key properties of 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;hydrochloride?
1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 0.20, 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;hydrochloride is sourced from PubChem (CID 69011048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).