2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone

C12H24N2O — CID 79036668

IUPAC2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1(C)CCN(C(=O)CNC(C)(C)C)C1
InChIInChI=1S/C12H24N2O/c1-11(2,3)13-8-10(15)14-7-6-12(4,5)9-14/h13H,6-9H2,1-5H3
InChIKeyHLJWUOYWWHPGGC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds2

About 2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone

2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone (PubChem CID 79036668) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone
PubChem CID79036668
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1(C)CCN(C(=O)CNC(C)(C)C)C1
InChIInChI=1S/C12H24N2O/c1-11(2,3)13-8-10(15)14-7-6-12(4,5)9-14/h13H,6-9H2,1-5H3
InChIKeyHLJWUOYWWHPGGC-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone (CID 79036668) is 2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone is CC1(C)CCN(C(=O)CNC(C)(C)C)C1.
What is the InChIKey of 2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone?
The InChIKey is HLJWUOYWWHPGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2,3)13-8-10(15)14-7-6-12(4,5)9-14/h13H,6-9H2,1-5H3.
What are the key properties of 2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone?
2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone has a molecular weight of 212.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 79036668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).