1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride

C8H18Cl2N2 — CID 67230636

IUPAC1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1CN2CCC1CC2
InChIInChI=1S/C8H16N2.2ClH/c9-5-8-6-10-3-1-7(8)2-4-10;;/h7-8H,1-6,9H2;2*1H
InChIKeyIWUXYDCAXVQVRL-UHFFFAOYSA-N
MW213.15 g/mol
LogP1.13
Rot. Bonds1

About 1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride

1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride (PubChem CID 67230636) has the molecular formula C8H18Cl2N2 and a molecular weight of 213.15 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride
PubChem CID67230636
Molecular FormulaC8H18Cl2N2
Molecular Weight213.15 g/mol
Exact Mass212.08
IUPAC Name1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1CN2CCC1CC2
InChIInChI=1S/C8H16N2.2ClH/c9-5-8-6-10-3-1-7(8)2-4-10;;/h7-8H,1-6,9H2;2*1H
InChIKeyIWUXYDCAXVQVRL-UHFFFAOYSA-N
XLogP1.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride?
The IUPAC name of 1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride (CID 67230636) is 1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride is Cl.Cl.NCC1CN2CCC1CC2.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride?
The InChIKey is IWUXYDCAXVQVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.2ClH/c9-5-8-6-10-3-1-7(8)2-4-10;;/h7-8H,1-6,9H2;2*1H.
What are the key properties of 1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride?
1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride has a molecular weight of 213.15 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride is sourced from PubChem (CID 67230636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).