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

C9H18N2O+2 — CID 5062783

IUPAC1,5-dimethyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one
SMILESCC12C[NH2+]CC(C)(C[NH2+]C1)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/p+2
InChIKeyVAXDAORNOMZREO-UHFFFAOYSA-P
MW170.26 g/mol
LogP-2.28
Rot. Bonds

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

1,5-dimethyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one (PubChem CID 5062783) has the molecular formula C9H18N2O+2 and a molecular weight of 170.26 g/mol. Its IUPAC name is 1,5-dimethyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name1,5-dimethyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one
PubChem CID5062783
Molecular FormulaC9H18N2O+2
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1,5-dimethyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one
SMILESCC12C[NH2+]CC(C)(C[NH2+]C1)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/p+2
InChIKeyVAXDAORNOMZREO-UHFFFAOYSA-P
XLogP-2.28
TPSA50.29 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-Dimethyl-3,7-diazabicyclo(3.3.1)nonan-9-one
CID 768164
3,7-Diazabicyclo(3.3.1)nonan-9-one, 1,5-dimethyl-, dihydrochloride
CID 3075225
2-[3-(Cyanomethyl)-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-7-yl]acetonitrile
CID 823176
1-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 2214726
1,5-Dimethyl-3,7-di(prop-2-yn-1-yl)-3,7-diazabicyclo-[3.3.1]nonan-9-one
CID 145994979
1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 756627
3,7-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 546959
1,5-Diethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 16394979
3,7-Diazabicyclo[3.3.1]nonan-9-one
CID 19068444
1,5-Dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 949443
1,3,5,7-Tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 14942463
1,5-Dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one hydrochloride
CID 132279982

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one?
The IUPAC name of 1,5-dimethyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one (CID 5062783) is 1,5-dimethyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 1,5-dimethyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 1,5-dimethyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one is CC12C[NH2+]CC(C)(C[NH2+]C1)C2=O.
What is the InChIKey of 1,5-dimethyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one?
The InChIKey is VAXDAORNOMZREO-UHFFFAOYSA-P. 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/p+2.
What are the key properties of 1,5-dimethyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one?
1,5-dimethyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one has a molecular weight of 170.26 g/mol, XLogP of -2.28, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 5062783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).