5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine

C11H15N3O — CID 121374351

IUPAC5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine
SMILESNc1ccc(N2C3CCC2COC3)cn1
InChIInChI=1S/C11H15N3O/c12-11-4-3-8(5-13-11)14-9-1-2-10(14)7-15-6-9/h3-5,9-10H,1-2,6-7H2,(H2,12,13)
InChIKeyIQARQXHRNASEBZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.03
Rot. Bonds1

About 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine

5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine (PubChem CID 121374351) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine
PubChem CID121374351
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine
SMILESNc1ccc(N2C3CCC2COC3)cn1
InChIInChI=1S/C11H15N3O/c12-11-4-3-8(5-13-11)14-9-1-2-10(14)7-15-6-9/h3-5,9-10H,1-2,6-7H2,(H2,12,13)
InChIKeyIQARQXHRNASEBZ-UHFFFAOYSA-N
XLogP1.03
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine?
The IUPAC name of 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine (CID 121374351) is 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine.
What is the SMILES notation for 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine?
The canonical SMILES for 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine is Nc1ccc(N2C3CCC2COC3)cn1.
What is the InChIKey of 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine?
The InChIKey is IQARQXHRNASEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-11-4-3-8(5-13-11)14-9-1-2-10(14)7-15-6-9/h3-5,9-10H,1-2,6-7H2,(H2,12,13).
What are the key properties of 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine?
5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine has a molecular weight of 205.26 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine is sourced from PubChem (CID 121374351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).