1-azabicyclo[2.2.2]octan-3-amine;hydron;dichloride

C7H16Cl2N2 — CID 69168656

IUPAC1-azabicyclo[2.2.2]octan-3-amine;hydron;dichloride
SMILESNC1CN2CCC1CC2.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H
InChIKeySTZHBULOYDCZET-UHFFFAOYSA-N
MW199.12 g/mol
LogP-5.73
Rot. Bonds

About 1-azabicyclo[2.2.2]octan-3-amine;hydron;dichloride

1-azabicyclo[2.2.2]octan-3-amine;hydron;dichloride (PubChem CID 69168656) has the molecular formula C7H16Cl2N2 and a molecular weight of 199.12 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-amine;hydron;dichloride.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-3-amine;hydron;dichloride
PubChem CID69168656
Molecular FormulaC7H16Cl2N2
Molecular Weight199.12 g/mol
Exact Mass198.07
IUPAC Name1-azabicyclo[2.2.2]octan-3-amine;hydron;dichloride
SMILESNC1CN2CCC1CC2.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H
InChIKeySTZHBULOYDCZET-UHFFFAOYSA-N
XLogP-5.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 5-5.73
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-amine;hydron;dichloride?
The IUPAC name of 1-azabicyclo[2.2.2]octan-3-amine;hydron;dichloride (CID 69168656) is 1-azabicyclo[2.2.2]octan-3-amine;hydron;dichloride.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-3-amine;hydron;dichloride?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-3-amine;hydron;dichloride is NC1CN2CCC1CC2.[Cl-].[Cl-].[H+].[H+].
What is the InChIKey of 1-azabicyclo[2.2.2]octan-3-amine;hydron;dichloride?
The InChIKey is STZHBULOYDCZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H.
What are the key properties of 1-azabicyclo[2.2.2]octan-3-amine;hydron;dichloride?
1-azabicyclo[2.2.2]octan-3-amine;hydron;dichloride has a molecular weight of 199.12 g/mol, XLogP of -5.73, 0 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-amine;hydron;dichloride is sourced from PubChem (CID 69168656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).