3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decane

C8H16N2O — CID 70169333

IUPAC3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decane
SMILESCN1CCC2COCC(C1)N2
InChIInChI=1S/C8H16N2O/c1-10-3-2-7-5-11-6-8(4-10)9-7/h7-9H,2-6H2,1H3
InChIKeyRNFMREBKQDCOTC-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.32
Rot. Bonds

About 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decane

3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decane (PubChem CID 70169333) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decane.

Molecular Properties

Compound Name3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decane
PubChem CID70169333
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decane
SMILESCN1CCC2COCC(C1)N2
InChIInChI=1S/C8H16N2O/c1-10-3-2-7-5-11-6-8(4-10)9-7/h7-9H,2-6H2,1H3
InChIKeyRNFMREBKQDCOTC-UHFFFAOYSA-N
XLogP-0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decane?
The IUPAC name of 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decane (CID 70169333) is 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decane.
What is the SMILES notation for 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decane?
The canonical SMILES for 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decane is CN1CCC2COCC(C1)N2.
What is the InChIKey of 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decane?
The InChIKey is RNFMREBKQDCOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10-3-2-7-5-11-6-8(4-10)9-7/h7-9H,2-6H2,1H3.
What are the key properties of 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decane?
3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decane has a molecular weight of 156.23 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decane is sourced from PubChem (CID 70169333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).