3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane

C10H20N2O — CID 81490697

IUPAC3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCOCCN1CCC2CCC(C1)N2
InChIInChI=1S/C10H20N2O/c1-13-7-6-12-5-4-9-2-3-10(8-12)11-9/h9-11H,2-8H2,1H3
InChIKeyNVBJAFLQNWAVOX-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.46
Rot. Bonds3

About 3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane

3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 81490697) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID81490697
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCOCCN1CCC2CCC(C1)N2
InChIInChI=1S/C10H20N2O/c1-13-7-6-12-5-4-9-2-3-10(8-12)11-9/h9-11H,2-8H2,1H3
InChIKeyNVBJAFLQNWAVOX-UHFFFAOYSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81490383
3-(2-methylsulfinylethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 131015156
3-heptyl-3,9-diazabicyclo[4.2.1]nonane
CID 81490155
3-[2-(2,5-dimethylphenoxy)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490545
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 81491193
1-(2-methoxyethyl)-4-[(1-methylazetidin-3-yl)methyl]piperidine
CID 177319090
3-(2-tert-butylsulfonylethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 103815561
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methoxypropan-1-one
CID 81483633
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 81490233
4-chloro-1-(2-methoxyethyl)-3-methylpiperidine
CID 114682183
(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 129445729
3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite
CID 170772093

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane (CID 81490697) is 3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane is COCCN1CCC2CCC(C1)N2.
What is the InChIKey of 3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is NVBJAFLQNWAVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-13-7-6-12-5-4-9-2-3-10(8-12)11-9/h9-11H,2-8H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane?
3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 184.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 81490697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).