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

C11H22N2O — CID 81490383

IUPAC3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCCOCCN1CCC2CCC(C1)N2
InChIInChI=1S/C11H22N2O/c1-2-14-8-7-13-6-5-10-3-4-11(9-13)12-10/h10-12H,2-9H2,1H3
InChIKeyLVQFNQPTPSDUTN-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds4

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

3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 81490383) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID81490383
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCCOCCN1CCC2CCC(C1)N2
InChIInChI=1S/C11H22N2O/c1-2-14-8-7-13-6-5-10-3-4-11(9-13)12-10/h10-12H,2-9H2,1H3
InChIKeyLVQFNQPTPSDUTN-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81490697
3-heptyl-3,9-diazabicyclo[4.2.1]nonane
CID 81490155
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
CID 129367814
(4aR,8aR)-2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine
CID 177178896
ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine
CID 177178993
3-(2-methylsulfinylethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 131015156
3-[2-(2,5-dimethylphenoxy)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490545
1-(2-ethoxyethyl)-3-fluoropiperidine
CID 177032761
1-(2-ethoxyethyl)-N-propylpyrrolidin-3-amine
CID 43591122
3-(2-tert-butylsulfonylethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 103815561
1-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyrrolidine-2,5-dione
CID 81491366
1-(3-ethoxypropyl)-4-methylpiperidin-3-amine
CID 65180830

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane (CID 81490383) is 3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane is CCOCCN1CCC2CCC(C1)N2.
What is the InChIKey of 3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is LVQFNQPTPSDUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-14-8-7-13-6-5-10-3-4-11(9-13)12-10/h10-12H,2-9H2,1H3.
What are the key properties of 3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane?
3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 198.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 81490383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).