2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine

C12H24N2O — CID 67479554

IUPAC2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine
SMILESCC(OCCN(C)C)N1CC2CCC1C2
InChIInChI=1S/C12H24N2O/c1-10(15-7-6-13(2)3)14-9-11-4-5-12(14)8-11/h10-12H,4-9H2,1-3H3
InChIKeyVXHCTRJPQPOSRA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.39
Rot. Bonds5

About 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine

2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine (PubChem CID 67479554) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine
PubChem CID67479554
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine
SMILESCC(OCCN(C)C)N1CC2CCC1C2
InChIInChI=1S/C12H24N2O/c1-10(15-7-6-13(2)3)14-9-11-4-5-12(14)8-11/h10-12H,4-9H2,1-3H3
InChIKeyVXHCTRJPQPOSRA-UHFFFAOYSA-N
XLogP1.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine (CID 67479554) is 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine is CC(OCCN(C)C)N1CC2CCC1C2.
What is the InChIKey of 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine?
The InChIKey is VXHCTRJPQPOSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(15-7-6-13(2)3)14-9-11-4-5-12(14)8-11/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine?
2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine has a molecular weight of 212.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 67479554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).