2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone

C15H27N3O2 — CID 61234450

IUPAC2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2C3CCC2CC(N)C3)CC(C)O1
InChIInChI=1S/C15H27N3O2/c1-10-7-17(8-11(2)20-10)15(19)9-18-13-3-4-14(18)6-12(16)5-13/h10-14H,3-9,16H2,1-2H3
InChIKeyDOOHOEZNZHEICA-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.58
Rot. Bonds2

About 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 61234450) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID61234450
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2C3CCC2CC(N)C3)CC(C)O1
InChIInChI=1S/C15H27N3O2/c1-10-7-17(8-11(2)20-10)15(19)9-18-13-3-4-14(18)6-12(16)5-13/h10-14H,3-9,16H2,1-2H3
InChIKeyDOOHOEZNZHEICA-UHFFFAOYSA-N
XLogP0.58
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 61234450) is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN2C3CCC2CC(N)C3)CC(C)O1.
What is the InChIKey of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is DOOHOEZNZHEICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10-7-17(8-11(2)20-10)15(19)9-18-13-3-4-14(18)6-12(16)5-13/h10-14H,3-9,16H2,1-2H3.
What are the key properties of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 281.40 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 61234450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).