8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol;dihydrochloride

C9H20Cl2N2O — CID 86811606

IUPAC8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol;dihydrochloride
SMILESCl.Cl.NCCN1C2CCC1CC(O)C2
InChIInChI=1S/C9H18N2O.2ClH/c10-3-4-11-7-1-2-8(11)6-9(12)5-7;;/h7-9,12H,1-6,10H2;2*1H
InChIKeyJDWQDHBGDOSJED-UHFFFAOYSA-N
MW243.18 g/mol
LogP0.78
Rot. Bonds2

About 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol;dihydrochloride

8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol;dihydrochloride (PubChem CID 86811606) has the molecular formula C9H20Cl2N2O and a molecular weight of 243.18 g/mol. Its IUPAC name is 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol;dihydrochloride.

Molecular Properties

Compound Name8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol;dihydrochloride
PubChem CID86811606
Molecular FormulaC9H20Cl2N2O
Molecular Weight243.18 g/mol
Exact Mass242.10
IUPAC Name8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol;dihydrochloride
SMILESCl.Cl.NCCN1C2CCC1CC(O)C2
InChIInChI=1S/C9H18N2O.2ClH/c10-3-4-11-7-1-2-8(11)6-9(12)5-7;;/h7-9,12H,1-6,10H2;2*1H
InChIKeyJDWQDHBGDOSJED-UHFFFAOYSA-N
XLogP0.78
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol;dihydrochloride?
The IUPAC name of 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol;dihydrochloride (CID 86811606) is 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol;dihydrochloride.
What is the SMILES notation for 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol;dihydrochloride?
The canonical SMILES for 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol;dihydrochloride is Cl.Cl.NCCN1C2CCC1CC(O)C2.
What is the InChIKey of 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol;dihydrochloride?
The InChIKey is JDWQDHBGDOSJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.2ClH/c10-3-4-11-7-1-2-8(11)6-9(12)5-7;;/h7-9,12H,1-6,10H2;2*1H.
What are the key properties of 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol;dihydrochloride?
8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol;dihydrochloride has a molecular weight of 243.18 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol;dihydrochloride is sourced from PubChem (CID 86811606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).