5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine

C14H21N3O — CID 113424132

IUPAC5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine
SMILESCCCNc1cncc(N2CC3CCC(C2)O3)c1
InChIInChI=1S/C14H21N3O/c1-2-5-16-11-6-12(8-15-7-11)17-9-13-3-4-14(10-17)18-13/h6-8,13-14,16H,2-5,9-10H2,1H3
InChIKeyQNJOIAXKWAQMMS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.27
Rot. Bonds4

About 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine

5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine (PubChem CID 113424132) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine.

Molecular Properties

Compound Name5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine
PubChem CID113424132
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine
SMILESCCCNc1cncc(N2CC3CCC(C2)O3)c1
InChIInChI=1S/C14H21N3O/c1-2-5-16-11-6-12(8-15-7-11)17-9-13-3-4-14(10-17)18-13/h6-8,13-14,16H,2-5,9-10H2,1H3
InChIKeyQNJOIAXKWAQMMS-UHFFFAOYSA-N
XLogP2.27
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine?
The IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine (CID 113424132) is 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine.
What is the SMILES notation for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine?
The canonical SMILES for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine is CCCNc1cncc(N2CC3CCC(C2)O3)c1.
What is the InChIKey of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine?
The InChIKey is QNJOIAXKWAQMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-5-16-11-6-12(8-15-7-11)17-9-13-3-4-14(10-17)18-13/h6-8,13-14,16H,2-5,9-10H2,1H3.
What are the key properties of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine?
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine has a molecular weight of 247.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine is sourced from PubChem (CID 113424132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).