2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine

C13H19N3O — CID 66391868

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine
SMILESNCC(c1ccccn1)N1CC2CCC(C1)O2
InChIInChI=1S/C13H19N3O/c14-7-13(12-3-1-2-6-15-12)16-8-10-4-5-11(9-16)17-10/h1-3,6,10-11,13H,4-5,7-9,14H2
InChIKeyAETCLRBPHKQEMI-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.94
Rot. Bonds3

About 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine (PubChem CID 66391868) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine
PubChem CID66391868
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine
SMILESNCC(c1ccccn1)N1CC2CCC(C1)O2
InChIInChI=1S/C13H19N3O/c14-7-13(12-3-1-2-6-15-12)16-8-10-4-5-11(9-16)17-10/h1-3,6,10-11,13H,4-5,7-9,14H2
InChIKeyAETCLRBPHKQEMI-UHFFFAOYSA-N
XLogP0.94
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine (CID 66391868) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine is NCC(c1ccccn1)N1CC2CCC(C1)O2.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine?
The InChIKey is AETCLRBPHKQEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-7-13(12-3-1-2-6-15-12)16-8-10-4-5-11(9-16)17-10/h1-3,6,10-11,13H,4-5,7-9,14H2.
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine has a molecular weight of 233.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 66391868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).