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

C11H20N2O — CID 14942463

IUPAC1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESCN1CC2(C)CN(C)CC(C)(C1)C2=O
InChIInChI=1S/C11H20N2O/c1-10-5-12(3)7-11(2,9(10)14)8-13(4)6-10/h5-8H2,1-4H3
InChIKeyWRZYXRZTMLRSQQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.46
Rot. Bonds

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

1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one (PubChem CID 14942463) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
PubChem CID14942463
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESCN1CC2(C)CN(C)CC(C)(C1)C2=O
InChIInChI=1S/C11H20N2O/c1-10-5-12(3)7-11(2,9(10)14)8-13(4)6-10/h5-8H2,1-4H3
InChIKeyWRZYXRZTMLRSQQ-UHFFFAOYSA-N
XLogP0.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The IUPAC name of 1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CID 14942463) is 1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one is CN1CC2(C)CN(C)CC(C)(C1)C2=O.
What is the InChIKey of 1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The InChIKey is WRZYXRZTMLRSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10-5-12(3)7-11(2,9(10)14)8-13(4)6-10/h5-8H2,1-4H3.
What are the key properties of 1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one has a molecular weight of 196.29 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 14942463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).