9,9-diethoxy-3,7-diazabicyclo[3.3.1]nonane

C11H22N2O2 — CID 71623778

IUPAC9,9-diethoxy-3,7-diazabicyclo[3.3.1]nonane
SMILESCCOC1(OCC)C2CNCC1CNC2
InChIInChI=1S/C11H22N2O2/c1-3-14-11(15-4-2)9-5-12-7-10(11)8-13-6-9/h9-10,12-13H,3-8H2,1-2H3
InChIKeyVKTFIGDTZMVXIY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.19
Rot. Bonds4

About 9,9-diethoxy-3,7-diazabicyclo[3.3.1]nonane

9,9-diethoxy-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 71623778) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 9,9-diethoxy-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9,9-diethoxy-3,7-diazabicyclo[3.3.1]nonane
PubChem CID71623778
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name9,9-diethoxy-3,7-diazabicyclo[3.3.1]nonane
SMILESCCOC1(OCC)C2CNCC1CNC2
InChIInChI=1S/C11H22N2O2/c1-3-14-11(15-4-2)9-5-12-7-10(11)8-13-6-9/h9-10,12-13H,3-8H2,1-2H3
InChIKeyVKTFIGDTZMVXIY-UHFFFAOYSA-N
XLogP0.19
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-diethoxy-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 9,9-diethoxy-3,7-diazabicyclo[3.3.1]nonane (CID 71623778) is 9,9-diethoxy-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 9,9-diethoxy-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 9,9-diethoxy-3,7-diazabicyclo[3.3.1]nonane is CCOC1(OCC)C2CNCC1CNC2.
What is the InChIKey of 9,9-diethoxy-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is VKTFIGDTZMVXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-14-11(15-4-2)9-5-12-7-10(11)8-13-6-9/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of 9,9-diethoxy-3,7-diazabicyclo[3.3.1]nonane?
9,9-diethoxy-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 214.31 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethoxy-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 71623778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).