9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane

C7H14N2O — CID 67212442

IUPAC9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESCN1C2CNCC1COC2
InChIInChI=1S/C7H14N2O/c1-9-6-2-8-3-7(9)5-10-4-6/h6-8H,2-5H2,1H3
InChIKeyOOZWMPOUEKJOCJ-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.71
Rot. Bonds

About 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane

9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane (PubChem CID 67212442) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
PubChem CID67212442
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESCN1C2CNCC1COC2
InChIInChI=1S/C7H14N2O/c1-9-6-2-8-3-7(9)5-10-4-6/h6-8H,2-5H2,1H3
InChIKeyOOZWMPOUEKJOCJ-UHFFFAOYSA-N
XLogP-0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The IUPAC name of 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane (CID 67212442) is 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane is CN1C2CNCC1COC2.
What is the InChIKey of 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The InChIKey is OOZWMPOUEKJOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9-6-2-8-3-7(9)5-10-4-6/h6-8H,2-5H2,1H3.
What are the key properties of 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane has a molecular weight of 142.20 g/mol, XLogP of -0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 67212442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).