2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide

C13H27N3O2 — CID 102938967

IUPAC2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CC(C)OC(CN)C1
InChIInChI=1S/C13H27N3O2/c1-5-13(3,4)15-12(17)9-16-7-10(2)18-11(6-14)8-16/h10-11H,5-9,14H2,1-4H3,(H,15,17)
InChIKeyTYLGRGMFIXPECA-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds5

About 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide

2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 102938967) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID102938967
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CC(C)OC(CN)C1
InChIInChI=1S/C13H27N3O2/c1-5-13(3,4)15-12(17)9-16-7-10(2)18-11(6-14)8-16/h10-11H,5-9,14H2,1-4H3,(H,15,17)
InChIKeyTYLGRGMFIXPECA-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-cyclopropylacetamide
CID 102938931
2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(oxan-4-yl)acetamide
CID 102938880
2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide
CID 102938963
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 79411155
N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102936046
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide
CID 78946382
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60916171
2-(3-hydroxypyrrolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62918018
(6-methyl-4-octylmorpholin-2-yl)methanamine
CID 102938785
(3S,4S)-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953850
N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide
CID 99786847

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide (CID 102938967) is 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN1CC(C)OC(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is TYLGRGMFIXPECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-13(3,4)15-12(17)9-16-7-10(2)18-11(6-14)8-16/h10-11H,5-9,14H2,1-4H3,(H,15,17).
What are the key properties of 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 102938967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).