2,2-dimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one

C13H24N2O — CID 79080277

IUPAC2,2-dimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
SMILESCN1C2CCC1CN(C(=O)C(C)(C)C)CC2
InChIInChI=1S/C13H24N2O/c1-13(2,3)12(16)15-8-7-10-5-6-11(9-15)14(10)4/h10-11H,5-9H2,1-4H3
InChIKeyFVNOUDPQUVWAOD-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.73
Rot. Bonds

About 2,2-dimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one

2,2-dimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one (PubChem CID 79080277) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
PubChem CID79080277
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2,2-dimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
SMILESCN1C2CCC1CN(C(=O)C(C)(C)C)CC2
InChIInChI=1S/C13H24N2O/c1-13(2,3)12(16)15-8-7-10-5-6-11(9-15)14(10)4/h10-11H,5-9H2,1-4H3
InChIKeyFVNOUDPQUVWAOD-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one (CID 79080277) is 2,2-dimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one is CN1C2CCC1CN(C(=O)C(C)(C)C)CC2.
What is the InChIKey of 2,2-dimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one?
The InChIKey is FVNOUDPQUVWAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2,3)12(16)15-8-7-10-5-6-11(9-15)14(10)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one?
2,2-dimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one is sourced from PubChem (CID 79080277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).