2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide

C13H27N3O — CID 78926215

IUPAC2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCC1)C(=O)CNC(C)(C)C
InChIInChI=1S/C13H27N3O/c1-13(2,3)14-11-12(17)15(4)9-10-16-7-5-6-8-16/h14H,5-11H2,1-4H3
InChIKeyFFUVPHRGYYAGLF-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds5

About 2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide

2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 78926215) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID78926215
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCC1)C(=O)CNC(C)(C)C
InChIInChI=1S/C13H27N3O/c1-13(2,3)14-11-12(17)15(4)9-10-16-7-5-6-8-16/h14H,5-11H2,1-4H3
InChIKeyFFUVPHRGYYAGLF-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butanamide
CID 110753417
N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63239691
3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid
CID 79256387
2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 63207711
2-(tert-butylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 79314656
2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide
CID 170154459
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63207232
6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid
CID 63207758
2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107199146
N-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 65242569
2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79800918
7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 63207884

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 78926215) is 2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide is CN(CCN1CCCC1)C(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is FFUVPHRGYYAGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,3)14-11-12(17)15(4)9-10-16-7-5-6-8-16/h14H,5-11H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 78926215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).