3-(2-ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane

C11H22N2O — CID 134374636

IUPAC3-(2-ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCOCCN1CC2CCC(C1)N2C
InChIInChI=1S/C11H22N2O/c1-3-14-7-6-13-8-10-4-5-11(9-13)12(10)2/h10-11H,3-9H2,1-2H3
InChIKeyIGRFURIAIRTDHG-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.80
Rot. Bonds4

About 3-(2-ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane

3-(2-ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 134374636) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID134374636
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-(2-ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCOCCN1CC2CCC(C1)N2C
InChIInChI=1S/C11H22N2O/c1-3-14-7-6-13-8-10-4-5-11(9-13)12(10)2/h10-11H,3-9H2,1-2H3
InChIKeyIGRFURIAIRTDHG-UHFFFAOYSA-N
XLogP0.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane (CID 134374636) is 3-(2-ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane is CCOCCN1CC2CCC(C1)N2C.
What is the InChIKey of 3-(2-ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is IGRFURIAIRTDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-14-7-6-13-8-10-4-5-11(9-13)12(10)2/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-(2-ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
3-(2-ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 198.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 134374636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).