2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone

C12H25N3O — CID 78925625

IUPAC2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
SMILESCN(C)C1CCN(C(=O)CNC(C)(C)C)C1
InChIInChI=1S/C12H25N3O/c1-12(2,3)13-8-11(16)15-7-6-10(9-15)14(4)5/h10,13H,6-9H2,1-5H3
InChIKeyDFYCAOIHKLSANT-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.54
Rot. Bonds3

About 2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone

2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone (PubChem CID 78925625) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
PubChem CID78925625
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
SMILESCN(C)C1CCN(C(=O)CNC(C)(C)C)C1
InChIInChI=1S/C12H25N3O/c1-12(2,3)13-8-11(16)15-7-6-10(9-15)14(4)5/h10,13H,6-9H2,1-5H3
InChIKeyDFYCAOIHKLSANT-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(tert-butylamino)ethanone
CID 113220942
2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625258
N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115695099
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 55246948
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 79281115
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone
CID 177006682
2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103782621
1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid
CID 79257373
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
2-(tert-butylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 79256799
2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 112723927
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113234306

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone (CID 78925625) is 2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone is CN(C)C1CCN(C(=O)CNC(C)(C)C)C1.
What is the InChIKey of 2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is DFYCAOIHKLSANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,3)13-8-11(16)15-7-6-10(9-15)14(4)5/h10,13H,6-9H2,1-5H3.
What are the key properties of 2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone?
2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 227.35 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 78925625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).