2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide

C13H27N3O2 — CID 114782398

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

About 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide

2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide (PubChem CID 114782398) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide
PubChem CID114782398
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1CC(CN)OC(C)(C)C1
InChIInChI=1S/C13H27N3O2/c1-5-10(2)15-12(17)8-16-7-11(6-14)18-13(3,4)9-16/h10-11H,5-9,14H2,1-4H3,(H,15,17)
InChIKeyHDQXWKWHWVLBDQ-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-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-(3-methylbutyl)acetamide
CID 114782492
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 114777452
methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate
CID 79822362
N-[(2R)-butan-2-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 129368574
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)acetamide
CID 48632514
2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 43252753
N-butan-2-yl-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 113283097
N-butan-2-yl-2-(3-ethyl-4-hydroxypiperidin-1-yl)acetamide
CID 114511157
2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114782402
N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 51077599
3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63148953

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide?
The IUPAC name of 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide (CID 114782398) is 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide is CCC(C)NC(=O)CN1CC(CN)OC(C)(C)C1.
What is the InChIKey of 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide?
The InChIKey is HDQXWKWHWVLBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-10(2)15-12(17)8-16-7-11(6-14)18-13(3,4)9-16/h10-11H,5-9,14H2,1-4H3,(H,15,17).
What are the key properties of 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide?
2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide 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-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide is sourced from PubChem (CID 114782398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).