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

C12H24N2O — CID 67479553

IUPAC1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine
SMILESCC(OCCN1CC2CCC1C2)N(C)C
InChIInChI=1S/C12H24N2O/c1-10(13(2)3)15-7-6-14-9-11-4-5-12(14)8-11/h10-12H,4-9H2,1-3H3
InChIKeyRJWRKELZAIPAGR-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.39
Rot. Bonds5

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

1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine (PubChem CID 67479553) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine
PubChem CID67479553
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine
SMILESCC(OCCN1CC2CCC1C2)N(C)C
InChIInChI=1S/C12H24N2O/c1-10(13(2)3)15-7-6-14-9-11-4-5-12(14)8-11/h10-12H,4-9H2,1-3H3
InChIKeyRJWRKELZAIPAGR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine?
The IUPAC name of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine (CID 67479553) is 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine is CC(OCCN1CC2CCC1C2)N(C)C.
What is the InChIKey of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine?
The InChIKey is RJWRKELZAIPAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(13(2)3)15-7-6-14-9-11-4-5-12(14)8-11/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine?
1-[2-(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 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 67479553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).