1-azabicyclo[2.2.2]octan-2-amine;dihydrochloride

C7H16Cl2N2 — CID 22047434

IUPAC1-azabicyclo[2.2.2]octan-2-amine;dihydrochloride
SMILESCl.Cl.NC1CC2CCN1CC2
InChIInChI=1S/C7H14N2.2ClH/c8-7-5-6-1-3-9(7)4-2-6;;/h6-7H,1-5,8H2;2*1H
InChIKeyHPKIFBLBIIDXRY-UHFFFAOYSA-N
MW199.12 g/mol
LogP1.23
Rot. Bonds

About 1-azabicyclo[2.2.2]octan-2-amine;dihydrochloride

1-azabicyclo[2.2.2]octan-2-amine;dihydrochloride (PubChem CID 22047434) has the molecular formula C7H16Cl2N2 and a molecular weight of 199.12 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-2-amine;dihydrochloride.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-2-amine;dihydrochloride
PubChem CID22047434
Molecular FormulaC7H16Cl2N2
Molecular Weight199.12 g/mol
Exact Mass198.07
IUPAC Name1-azabicyclo[2.2.2]octan-2-amine;dihydrochloride
SMILESCl.Cl.NC1CC2CCN1CC2
InChIInChI=1S/C7H14N2.2ClH/c8-7-5-6-1-3-9(7)4-2-6;;/h6-7H,1-5,8H2;2*1H
InChIKeyHPKIFBLBIIDXRY-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Quinuclidine, 3-amino-, dihydrochloride
CID 197853
(R)-(+)-3-Aminoquinuclidine Dihydrochloride
CID 12494972
(3S)-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride
CID 12494973
{1-Azabicyclo[2.2.2]octan-3-yl}methanamine dihydrochloride
CID 67230636
1-Azabicyclo[2.2.2]octan-2-amine
CID 18926968
3-Methyl-aminoquinuclidine
CID 129778141
1-Azabicyclo[2.2.2]octan-3-amine;hydron;dichloride
CID 69168656
(2S)-1-azabicyclo[2.2.2]octan-2-amine
CID 10942426
1-Azoniabicyclo[2.2.2]octane dichloride
CID 12698389
N-butyl-1-azabicyclo[2.2.2]octan-2-amine
CID 22442344
N-propyl-1-azabicyclo[2.2.2]octan-2-amine
CID 53745232
N-methyl-1-azabicyclo[2.2.2]octan-2-amine
CID 54000543

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-2-amine;dihydrochloride?
The IUPAC name of 1-azabicyclo[2.2.2]octan-2-amine;dihydrochloride (CID 22047434) is 1-azabicyclo[2.2.2]octan-2-amine;dihydrochloride.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-2-amine;dihydrochloride?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-2-amine;dihydrochloride is Cl.Cl.NC1CC2CCN1CC2.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-2-amine;dihydrochloride?
The InChIKey is HPKIFBLBIIDXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.2ClH/c8-7-5-6-1-3-9(7)4-2-6;;/h6-7H,1-5,8H2;2*1H.
What are the key properties of 1-azabicyclo[2.2.2]octan-2-amine;dihydrochloride?
1-azabicyclo[2.2.2]octan-2-amine;dihydrochloride has a molecular weight of 199.12 g/mol, XLogP of 1.23, 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-2-amine;dihydrochloride is sourced from PubChem (CID 22047434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).