3-propyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride

C10H22Cl2N2 — CID 90046878

IUPAC3-propyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
SMILESCCCC1(N)CN2CCC1CC2.Cl.Cl
InChIInChI=1S/C10H20N2.2ClH/c1-2-5-10(11)8-12-6-3-9(10)4-7-12;;/h9H,2-8,11H2,1H3;2*1H
InChIKeyAKFVJPVKTWNMTK-UHFFFAOYSA-N
MW241.21 g/mol
LogP2.05
Rot. Bonds2

About 3-propyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride

3-propyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride (PubChem CID 90046878) has the molecular formula C10H22Cl2N2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-propyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride.

Molecular Properties

Compound Name3-propyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
PubChem CID90046878
Molecular FormulaC10H22Cl2N2
Molecular Weight241.21 g/mol
Exact Mass240.12
IUPAC Name3-propyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
SMILESCCCC1(N)CN2CCC1CC2.Cl.Cl
InChIInChI=1S/C10H20N2.2ClH/c1-2-5-10(11)8-12-6-3-9(10)4-7-12;;/h9H,2-8,11H2,1H3;2*1H
InChIKeyAKFVJPVKTWNMTK-UHFFFAOYSA-N
XLogP2.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride?
The IUPAC name of 3-propyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride (CID 90046878) is 3-propyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride.
What is the SMILES notation for 3-propyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride?
The canonical SMILES for 3-propyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride is CCCC1(N)CN2CCC1CC2.Cl.Cl.
What is the InChIKey of 3-propyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride?
The InChIKey is AKFVJPVKTWNMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.2ClH/c1-2-5-10(11)8-12-6-3-9(10)4-7-12;;/h9H,2-8,11H2,1H3;2*1H.
What are the key properties of 3-propyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride?
3-propyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride has a molecular weight of 241.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride is sourced from PubChem (CID 90046878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).