2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine

C11H22N2O — CID 114396571

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine
SMILESCON(C)CCC1CC2CCC(C1)N2
InChIInChI=1S/C11H22N2O/c1-13(14-2)6-5-9-7-10-3-4-11(8-9)12-10/h9-12H,3-8H2,1-2H3
InChIKeyPXSYURXQSMNEAC-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.40
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine (PubChem CID 114396571) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine
PubChem CID114396571
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine
SMILESCON(C)CCC1CC2CCC(C1)N2
InChIInChI=1S/C11H22N2O/c1-13(14-2)6-5-9-7-10-3-4-11(8-9)12-10/h9-12H,3-8H2,1-2H3
InChIKeyPXSYURXQSMNEAC-UHFFFAOYSA-N
XLogP1.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine (CID 114396571) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine is CON(C)CCC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine?
The InChIKey is PXSYURXQSMNEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13(14-2)6-5-9-7-10-3-4-11(8-9)12-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine has a molecular weight of 198.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine is sourced from PubChem (CID 114396571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).