2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone

C8H16N2O2 — CID 43542226

IUPAC2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
SMILESCNCC(=O)N1CCOCC1C
InChIInChI=1S/C8H16N2O2/c1-7-6-12-4-3-10(7)8(11)5-9-2/h7,9H,3-6H2,1-2H3
InChIKeyCDIXPJTXZZLPIU-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.55
Rot. Bonds2

About 2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone

2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone (PubChem CID 43542226) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
PubChem CID43542226
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
SMILESCNCC(=O)N1CCOCC1C
InChIInChI=1S/C8H16N2O2/c1-7-6-12-4-3-10(7)8(11)5-9-2/h7,9H,3-6H2,1-2H3
InChIKeyCDIXPJTXZZLPIU-UHFFFAOYSA-N
XLogP-0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 60842403
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927
1-[(5aR,8aR)-2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl]-2-(methylamino)ethanone
CID 129495245
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide
CID 43542531
4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111675
methyl 3-methylmorpholine-4-carboxylate
CID 110292243
4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 106774568
ethyl 4-[(3R)-3-methylmorpholin-4-yl]-2,4-dioxobutanoate
CID 163276648
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one
CID 106774401
1-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-3-ylethanone
CID 106774293

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone (CID 43542226) is 2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone is CNCC(=O)N1CCOCC1C.
What is the InChIKey of 2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone?
The InChIKey is CDIXPJTXZZLPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7-6-12-4-3-10(7)8(11)5-9-2/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone?
2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone has a molecular weight of 172.23 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43542226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).