3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane

C15H26N2O2 — CID 115314326

IUPAC3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESC1CCC2(C1)OCC(CN1CCC3CCC(C1)N3)O2
InChIInChI=1S/C15H26N2O2/c1-2-7-15(6-1)18-11-14(19-15)10-17-8-5-12-3-4-13(9-17)16-12/h12-14,16H,1-11H2
InChIKeyGMTRBJHRRCNLEG-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.50
Rot. Bonds2

About 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane

3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 115314326) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID115314326
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESC1CCC2(C1)OCC(CN1CCC3CCC(C1)N3)O2
InChIInChI=1S/C15H26N2O2/c1-2-7-15(6-1)18-11-14(19-15)10-17-8-5-12-3-4-13(9-17)16-12/h12-14,16H,1-11H2
InChIKeyGMTRBJHRRCNLEG-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane (CID 115314326) is 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane is C1CCC2(C1)OCC(CN1CCC3CCC(C1)N3)O2.
What is the InChIKey of 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is GMTRBJHRRCNLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-7-15(6-1)18-11-14(19-15)10-17-8-5-12-3-4-13(9-17)16-12/h12-14,16H,1-11H2.
What are the key properties of 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane?
3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 266.38 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 115314326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).