(2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol

C8H15NO — CID 55281900

IUPAC(2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol
SMILESN[C@@H]1C2CCC(CC2)[C@H]1O
InChIInChI=1S/C8H15NO/c9-7-5-1-3-6(4-2-5)8(7)10/h5-8,10H,1-4,9H2/t5?,6?,7-,8-/m1/s1
InChIKeyQFDAEESARGPBBO-DWYQZRHDSA-N
MW141.21 g/mol
LogP0.49
Rot. Bonds

About (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol

(2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol (PubChem CID 55281900) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol
PubChem CID55281900
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol
SMILESN[C@@H]1C2CCC(CC2)[C@H]1O
InChIInChI=1S/C8H15NO/c9-7-5-1-3-6(4-2-5)8(7)10/h5-8,10H,1-4,9H2/t5?,6?,7-,8-/m1/s1
InChIKeyQFDAEESARGPBBO-DWYQZRHDSA-N
XLogP0.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol?
The IUPAC name of (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol (CID 55281900) is (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol?
The canonical SMILES for (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol is N[C@@H]1C2CCC(CC2)[C@H]1O.
What is the InChIKey of (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol?
The InChIKey is QFDAEESARGPBBO-DWYQZRHDSA-N. The full InChI is InChI=1S/C8H15NO/c9-7-5-1-3-6(4-2-5)8(7)10/h5-8,10H,1-4,9H2/t5?,6?,7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol?
(2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol has a molecular weight of 141.21 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 55281900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).