2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine

C11H22N2 — CID 19087622

IUPAC2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine
SMILESCNCCN1CC2CCC(CC2)C1
InChIInChI=1S/C11H22N2/c1-12-6-7-13-8-10-2-3-11(9-13)5-4-10/h10-12H,2-9H2,1H3
InChIKeyLUCCADPOPJFZRI-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.33
Rot. Bonds3

About 2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine

2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine (PubChem CID 19087622) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine
PubChem CID19087622
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine
SMILESCNCCN1CC2CCC(CC2)C1
InChIInChI=1S/C11H22N2/c1-12-6-7-13-8-10-2-3-11(9-13)5-4-10/h10-12H,2-9H2,1H3
InChIKeyLUCCADPOPJFZRI-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine?
The IUPAC name of 2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine (CID 19087622) is 2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine is CNCCN1CC2CCC(CC2)C1.
What is the InChIKey of 2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine?
The InChIKey is LUCCADPOPJFZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-12-6-7-13-8-10-2-3-11(9-13)5-4-10/h10-12H,2-9H2,1H3.
What are the key properties of 2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine?
2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine has a molecular weight of 182.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine is sourced from PubChem (CID 19087622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).