9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one

C12H22N2O — CID 54349876

IUPAC9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one
SMILESCC(C)CN1CC2CC(=O)CC(C1)N2C
InChIInChI=1S/C12H22N2O/c1-9(2)6-14-7-10-4-12(15)5-11(8-14)13(10)3/h9-11H,4-8H2,1-3H3
InChIKeyUEYYXJZXXPIEIM-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.99
Rot. Bonds2

About 9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one

9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one (PubChem CID 54349876) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one.

Molecular Properties

Compound Name9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one
PubChem CID54349876
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one
SMILESCC(C)CN1CC2CC(=O)CC(C1)N2C
InChIInChI=1S/C12H22N2O/c1-9(2)6-14-7-10-4-12(15)5-11(8-14)13(10)3/h9-11H,4-8H2,1-3H3
InChIKeyUEYYXJZXXPIEIM-UHFFFAOYSA-N
XLogP0.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,9-Dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 19786409
8-[(Dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one
CID 22504474
3,9-Diazabicyclo[3.3.1]nonan-7-one, 3-ethyl-9-methyl-
CID 45099835
3-(Cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 54197523
9-Methyl-3-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 54231950
9-Methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 54264465
9-Methyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+)
CID 59793757
9-Methyl-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 59793758
6,9-Dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+)
CID 59793774
6,9-Dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 59793775
2-[[2-(Diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one
CID 142949310
3,9-Ditert-butyl-6-ethyl-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 150624185

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one?
The IUPAC name of 9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one (CID 54349876) is 9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one.
What is the SMILES notation for 9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one?
The canonical SMILES for 9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one is CC(C)CN1CC2CC(=O)CC(C1)N2C.
What is the InChIKey of 9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one?
The InChIKey is UEYYXJZXXPIEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)6-14-7-10-4-12(15)5-11(8-14)13(10)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one?
9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one has a molecular weight of 210.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one is sourced from PubChem (CID 54349876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).