3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride

C7H16Cl2N2O — CID 70654199

IUPAC3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride
SMILESCl.Cl.NCC1(O)CN2CCC1C2
InChIInChI=1S/C7H14N2O.2ClH/c8-4-7(10)5-9-2-1-6(7)3-9;;/h6,10H,1-5,8H2;2*1H
InChIKeyXOEIBMJDHLGZKJ-UHFFFAOYSA-N
MW215.12 g/mol
LogP-0.14
Rot. Bonds1

About 3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride

3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride (PubChem CID 70654199) has the molecular formula C7H16Cl2N2O and a molecular weight of 215.12 g/mol. Its IUPAC name is 3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride
PubChem CID70654199
Molecular FormulaC7H16Cl2N2O
Molecular Weight215.12 g/mol
Exact Mass214.06
IUPAC Name3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride
SMILESCl.Cl.NCC1(O)CN2CCC1C2
InChIInChI=1S/C7H14N2O.2ClH/c8-4-7(10)5-9-2-1-6(7)3-9;;/h6,10H,1-5,8H2;2*1H
InChIKeyXOEIBMJDHLGZKJ-UHFFFAOYSA-N
XLogP-0.14
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride?
The IUPAC name of 3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride (CID 70654199) is 3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride.
What is the SMILES notation for 3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride?
The canonical SMILES for 3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride is Cl.Cl.NCC1(O)CN2CCC1C2.
What is the InChIKey of 3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride?
The InChIKey is XOEIBMJDHLGZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.2ClH/c8-4-7(10)5-9-2-1-6(7)3-9;;/h6,10H,1-5,8H2;2*1H.
What are the key properties of 3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride?
3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride has a molecular weight of 215.12 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride is sourced from PubChem (CID 70654199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).