2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol

C11H22N2O2 — CID 61234287

IUPAC2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol
SMILESNC1CC2CCC(C1)N2CCOCCO
InChIInChI=1S/C11H22N2O2/c12-9-7-10-1-2-11(8-9)13(10)3-5-15-6-4-14/h9-11,14H,1-8,12H2
InChIKeyRIUPWSJHLVUVGZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.05
Rot. Bonds5

About 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol

2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol (PubChem CID 61234287) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol
PubChem CID61234287
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol
SMILESNC1CC2CCC(C1)N2CCOCCO
InChIInChI=1S/C11H22N2O2/c12-9-7-10-1-2-11(8-9)13(10)3-5-15-6-4-14/h9-11,14H,1-8,12H2
InChIKeyRIUPWSJHLVUVGZ-UHFFFAOYSA-N
XLogP-0.05
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol (CID 61234287) is 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol is NC1CC2CCC(C1)N2CCOCCO.
What is the InChIKey of 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol?
The InChIKey is RIUPWSJHLVUVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c12-9-7-10-1-2-11(8-9)13(10)3-5-15-6-4-14/h9-11,14H,1-8,12H2.
What are the key properties of 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol?
2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol has a molecular weight of 214.31 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol is sourced from PubChem (CID 61234287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).