8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane

C7H14N2O — CID 123969687

IUPAC8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane
SMILESCN1CC2CNCC1CO2
InChIInChI=1S/C7H14N2O/c1-9-4-7-3-8-2-6(9)5-10-7/h6-8H,2-5H2,1H3
InChIKeyJGJNKEJVIXGDJB-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.71
Rot. Bonds

About 8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane

8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane (PubChem CID 123969687) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane
PubChem CID123969687
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane
SMILESCN1CC2CNCC1CO2
InChIInChI=1S/C7H14N2O/c1-9-4-7-3-8-2-6(9)5-10-7/h6-8H,2-5H2,1H3
InChIKeyJGJNKEJVIXGDJB-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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Related Compounds

(4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane
CID 58095492
9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 67212442
heptadecan-9-yl 8-(6-oxa-3,8-diazabicyclo[3.2.2]nonan-8-yl)octanoate
CID 174137448
(1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane
CID 155007795
6-oxa-3-azabicyclo[3.2.1]octane
CID 54594726
5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 163896989
9-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 18911
(1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 98255776
(2S)-4-(azetidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]morpholine
CID 58469905
1-(azetidin-3-yl)-4-methylpiperazine
CID 20659800
(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 59134770
3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one
CID 89353026

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane?
The IUPAC name of 8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane (CID 123969687) is 8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for 8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane?
The canonical SMILES for 8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane is CN1CC2CNCC1CO2.
What is the InChIKey of 8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane?
The InChIKey is JGJNKEJVIXGDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9-4-7-3-8-2-6(9)5-10-7/h6-8H,2-5H2,1H3.
What are the key properties of 8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane?
8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]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 8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 123969687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).