3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one

C13H24N2O — CID 10704378

IUPAC3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESCC(C)N1CC2CN(C(C)C)CC(C1)C2=O
InChIInChI=1S/C13H24N2O/c1-9(2)14-5-11-7-15(10(3)4)8-12(6-14)13(11)16/h9-12H,5-8H2,1-4H3
InChIKeyYGTKXITWJVCHQV-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.24
Rot. Bonds2

About 3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one

3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one (PubChem CID 10704378) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one
PubChem CID10704378
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESCC(C)N1CC2CN(C(C)C)CC(C1)C2=O
InChIInChI=1S/C13H24N2O/c1-9(2)14-5-11-7-15(10(3)4)8-12(6-14)13(11)16/h9-12H,5-8H2,1-4H3
InChIKeyYGTKXITWJVCHQV-UHFFFAOYSA-N
XLogP1.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one?
The IUPAC name of 3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one (CID 10704378) is 3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one is CC(C)N1CC2CN(C(C)C)CC(C1)C2=O.
What is the InChIKey of 3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one?
The InChIKey is YGTKXITWJVCHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9(2)14-5-11-7-15(10(3)4)8-12(6-14)13(11)16/h9-12H,5-8H2,1-4H3.
What are the key properties of 3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one?
3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one has a molecular weight of 224.35 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 10704378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).