(3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride

C8H18Cl2N2O — CID 66724726

IUPAC(3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride
SMILESCl.Cl.NC[C@@]1(O)CN2CCC1CC2
InChIInChI=1S/C8H16N2O.2ClH/c9-5-8(11)6-10-3-1-7(8)2-4-10;;/h7,11H,1-6,9H2;2*1H/t8-;;/m1../s1
InChIKeyOUKVGTYIZUXBIR-YCBDHFTFSA-N
MW229.15 g/mol
LogP0.25
Rot. Bonds1

About (3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride

(3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride (PubChem CID 66724726) has the molecular formula C8H18Cl2N2O and a molecular weight of 229.15 g/mol. Its IUPAC name is (3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride.

Molecular Properties

Compound Name(3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride
PubChem CID66724726
Molecular FormulaC8H18Cl2N2O
Molecular Weight229.15 g/mol
Exact Mass228.08
IUPAC Name(3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride
SMILESCl.Cl.NC[C@@]1(O)CN2CCC1CC2
InChIInChI=1S/C8H16N2O.2ClH/c9-5-8(11)6-10-3-1-7(8)2-4-10;;/h7,11H,1-6,9H2;2*1H/t8-;;/m1../s1
InChIKeyOUKVGTYIZUXBIR-YCBDHFTFSA-N
XLogP0.25
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride?
The IUPAC name of (3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride (CID 66724726) is (3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride.
What is the SMILES notation for (3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride?
The canonical SMILES for (3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride is Cl.Cl.NC[C@@]1(O)CN2CCC1CC2.
What is the InChIKey of (3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride?
The InChIKey is OUKVGTYIZUXBIR-YCBDHFTFSA-N. The full InChI is InChI=1S/C8H16N2O.2ClH/c9-5-8(11)6-10-3-1-7(8)2-4-10;;/h7,11H,1-6,9H2;2*1H/t8-;;/m1../s1.
What are the key properties of (3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride?
(3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride has a molecular weight of 229.15 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride is sourced from PubChem (CID 66724726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).