3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine

C12H20N4O — CID 106659795

IUPAC3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC2CC3CCCC(C2)N3C)n1
InChIInChI=1S/C12H20N4O/c1-8-13-12(17-15-8)14-9-6-10-4-3-5-11(7-9)16(10)2/h9-11H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyVTQLEEPZPQXFGR-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.81
Rot. Bonds2

About 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine

3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 106659795) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine
PubChem CID106659795
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC2CC3CCCC(C2)N3C)n1
InChIInChI=1S/C12H20N4O/c1-8-13-12(17-15-8)14-9-6-10-4-3-5-11(7-9)16(10)2/h9-11H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyVTQLEEPZPQXFGR-UHFFFAOYSA-N
XLogP1.81
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine (CID 106659795) is 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine is Cc1noc(NC2CC3CCCC(C2)N3C)n1.
What is the InChIKey of 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is VTQLEEPZPQXFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-13-12(17-15-8)14-9-6-10-4-3-5-11(7-9)16(10)2/h9-11H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine?
3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 236.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106659795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).