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

C8H18Cl2N2 — CID 122156649

IUPAC3-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
SMILESCC1(N)CN2CCC1CC2.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-8(9)6-10-4-2-7(8)3-5-10;;/h7H,2-6,9H2,1H3;2*1H
InChIKeyRNNWAJOABQOPSX-UHFFFAOYSA-N
MW213.15 g/mol
LogP1.27
Rot. Bonds

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

3-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride (PubChem CID 122156649) has the molecular formula C8H18Cl2N2 and a molecular weight of 213.15 g/mol. Its IUPAC name is 3-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride.

Molecular Properties

Compound Name3-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
PubChem CID122156649
Molecular FormulaC8H18Cl2N2
Molecular Weight213.15 g/mol
Exact Mass212.08
IUPAC Name3-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
SMILESCC1(N)CN2CCC1CC2.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-8(9)6-10-4-2-7(8)3-5-10;;/h7H,2-6,9H2,1H3;2*1H
InChIKeyRNNWAJOABQOPSX-UHFFFAOYSA-N
XLogP1.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride?
The IUPAC name of 3-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride (CID 122156649) is 3-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride.
What is the SMILES notation for 3-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride?
The canonical SMILES for 3-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride is CC1(N)CN2CCC1CC2.Cl.Cl.
What is the InChIKey of 3-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride?
The InChIKey is RNNWAJOABQOPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.2ClH/c1-8(9)6-10-4-2-7(8)3-5-10;;/h7H,2-6,9H2,1H3;2*1H.
What are the key properties of 3-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride?
3-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride has a molecular weight of 213.15 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride is sourced from PubChem (CID 122156649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).