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

C12H24N2O — CID 58311734

IUPAC2-tert-butyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCOCCN1CC2CC1CN2C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-12(2,3)14-9-10-7-11(14)8-13(10)5-6-15-4/h10-11H,5-9H2,1-4H3
InChIKeyOJEPSBGZTUOLQY-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds3

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

2-tert-butyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 58311734) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-tert-butyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID58311734
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-tert-butyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCOCCN1CC2CC1CN2C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-12(2,3)14-9-10-7-11(14)8-13(10)5-6-15-4/h10-11H,5-9H2,1-4H3
InChIKeyOJEPSBGZTUOLQY-UHFFFAOYSA-N
XLogP1.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-tert-butyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane (CID 58311734) is 2-tert-butyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-tert-butyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-tert-butyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane is COCCN1CC2CC1CN2C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is OJEPSBGZTUOLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)14-9-10-7-11(14)8-13(10)5-6-15-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane?
2-tert-butyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 212.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 58311734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).