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

C12H24N2O — CID 54459534

IUPAC2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOCCN1CC2CCC1C2
InChIInChI=1S/C12H24N2O/c1-13(2)5-7-15-8-6-14-10-11-3-4-12(14)9-11/h11-12H,3-10H2,1-2H3
InChIKeyXAQJFBHIWAQJCS-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.05
Rot. Bonds6

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

2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine (PubChem CID 54459534) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine
PubChem CID54459534
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOCCN1CC2CCC1C2
InChIInChI=1S/C12H24N2O/c1-13(2)5-7-15-8-6-14-10-11-3-4-12(14)9-11/h11-12H,3-10H2,1-2H3
InChIKeyXAQJFBHIWAQJCS-UHFFFAOYSA-N
XLogP1.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.05
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 2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine (CID 54459534) is 2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine is CN(C)CCOCCN1CC2CCC1C2.
What is the InChIKey of 2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine?
The InChIKey is XAQJFBHIWAQJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13(2)5-7-15-8-6-14-10-11-3-4-12(14)9-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine?
2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine has a molecular weight of 212.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 54459534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).