(2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride

C8H18Cl2N2 — CID 146148265

IUPAC(2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
SMILESC[C@@H]1[C@@H](N)C2CCN1CC2.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-6-8(9)7-2-4-10(6)5-3-7;;/h6-8H,2-5,9H2,1H3;2*1H/t6-,8-;;/m1../s1
InChIKeyIYWLMYXIUVLLGB-QGTMZHJHSA-N
MW213.15 g/mol
LogP1.27
Rot. Bonds

About (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride

(2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride (PubChem CID 146148265) has the molecular formula C8H18Cl2N2 and a molecular weight of 213.15 g/mol. Its IUPAC name is (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
PubChem CID146148265
Molecular FormulaC8H18Cl2N2
Molecular Weight213.15 g/mol
Exact Mass212.08
IUPAC Name(2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
SMILESC[C@@H]1[C@@H](N)C2CCN1CC2.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-6-8(9)7-2-4-10(6)5-3-7;;/h6-8H,2-5,9H2,1H3;2*1H/t6-,8-;;/m1../s1
InChIKeyIYWLMYXIUVLLGB-QGTMZHJHSA-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

Analyze (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride?
The IUPAC name of (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride (CID 146148265) is (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride is C[C@@H]1[C@@H](N)C2CCN1CC2.Cl.Cl.
What is the InChIKey of (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride?
The InChIKey is IYWLMYXIUVLLGB-QGTMZHJHSA-N. The full InChI is InChI=1S/C8H16N2.2ClH/c1-6-8(9)7-2-4-10(6)5-3-7;;/h6-8H,2-5,9H2,1H3;2*1H/t6-,8-;;/m1../s1.
What are the key properties of (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride?
(2R,3S)-2-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 (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride is sourced from PubChem (CID 146148265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).