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

C9H18Cl2N2O — CID 3075225

IUPAC1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;dihydrochloride
SMILESCC12CNCC(C)(CNC1)C2=O.Cl.Cl
InChIInChI=1S/C9H16N2O.2ClH/c1-8-3-10-5-9(2,7(8)12)6-11-4-8;;/h10-11H,3-6H2,1-2H3;2*1H
InChIKeyRAJBOHHKBBLDDW-UHFFFAOYSA-N
MW241.16 g/mol
LogP0.62
Rot. Bonds

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

1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;dihydrochloride (PubChem CID 3075225) has the molecular formula C9H18Cl2N2O and a molecular weight of 241.16 g/mol. Its IUPAC name is 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;dihydrochloride.

Molecular Properties

Compound Name1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;dihydrochloride
PubChem CID3075225
Molecular FormulaC9H18Cl2N2O
Molecular Weight241.16 g/mol
Exact Mass240.08
IUPAC Name1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;dihydrochloride
SMILESCC12CNCC(C)(CNC1)C2=O.Cl.Cl
InChIInChI=1S/C9H16N2O.2ClH/c1-8-3-10-5-9(2,7(8)12)6-11-4-8;;/h10-11H,3-6H2,1-2H3;2*1H
InChIKeyRAJBOHHKBBLDDW-UHFFFAOYSA-N
XLogP0.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Dimethyl-3,7-diazabicyclo(3.3.1)nonan-9-one
CID 768164
1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 756627
1,3,5,7-Tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 14942463
1,5-Diethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 16394979
1,5-Dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 949443
1,5-Dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one hydrochloride
CID 132279982
3-Acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 172640367
1-Ethyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 16394878
1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;hydrochloride
CID 69011048
3-Methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 84020932
1-Methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 141208858
3,7-Ditert-butyl-1,5-bis[(tert-butylamino)methyl]-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 142762567

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;dihydrochloride?
The IUPAC name of 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;dihydrochloride (CID 3075225) is 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;dihydrochloride.
What is the SMILES notation for 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;dihydrochloride?
The canonical SMILES for 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;dihydrochloride is CC12CNCC(C)(CNC1)C2=O.Cl.Cl.
What is the InChIKey of 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;dihydrochloride?
The InChIKey is RAJBOHHKBBLDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.2ClH/c1-8-3-10-5-9(2,7(8)12)6-11-4-8;;/h10-11H,3-6H2,1-2H3;2*1H.
What are the key properties of 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;dihydrochloride?
1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;dihydrochloride has a molecular weight of 241.16 g/mol, XLogP of 0.62, 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;dihydrochloride is sourced from PubChem (CID 3075225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).