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

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

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43556595
2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 62776851
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60768713
1-(2,6-dimethylmorpholin-4-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282275
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 60503561
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
CID 153278899
(3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958585
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide
CID 61235196
3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43120415
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide
CID 47030863

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).