2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

C9H18N2O — CID 123592696

IUPAC2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCOCCN1CC2CC1CN2C
InChIInChI=1S/C9H18N2O/c1-10-6-9-5-8(10)7-11(9)3-4-12-2/h8-9H,3-7H2,1-2H3
InChIKeyGWRWFGBFKIIFEQ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.02
Rot. Bonds3

About 2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 123592696) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID123592696
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCOCCN1CC2CC1CN2C
InChIInChI=1S/C9H18N2O/c1-10-6-9-5-8(10)7-11(9)3-4-12-2/h8-9H,3-7H2,1-2H3
InChIKeyGWRWFGBFKIIFEQ-UHFFFAOYSA-N
XLogP0.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 123592696) is 2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is COCCN1CC2CC1CN2C.
What is the InChIKey of 2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is GWRWFGBFKIIFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-6-9-5-8(10)7-11(9)3-4-12-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 170.26 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 123592696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).