3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone

C15H26N2O2 — CID 115313979

IUPAC3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)N2CCC3CCC(C2)N3)C1C
InChIInChI=1S/C15H26N2O2/c1-9-10(2)19-11(3)14(9)15(18)17-7-6-12-4-5-13(8-17)16-12/h9-14,16H,4-8H2,1-3H3
InChIKeyRINZUONNAZFNEM-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.40
Rot. Bonds1

About 3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone

3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 115313979) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID115313979
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)N2CCC3CCC(C2)N3)C1C
InChIInChI=1S/C15H26N2O2/c1-9-10(2)19-11(3)14(9)15(18)17-7-6-12-4-5-13(8-17)16-12/h9-14,16H,4-8H2,1-3H3
InChIKeyRINZUONNAZFNEM-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone (CID 115313979) is 3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for 3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for 3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone is CC1OC(C)C(C(=O)N2CCC3CCC(C2)N3)C1C.
What is the InChIKey of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is RINZUONNAZFNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-9-10(2)19-11(3)14(9)15(18)17-7-6-12-4-5-13(8-17)16-12/h9-14,16H,4-8H2,1-3H3.
What are the key properties of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 266.38 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 115313979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).