2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one

C11H22N2O — CID 118447158

IUPAC2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC[C@]1(C)CCN(C(=O)C(C)(C)N)C1
InChIInChI=1S/C11H22N2O/c1-5-11(4)6-7-13(8-11)9(14)10(2,3)12/h5-8,12H2,1-4H3/t11-/m1/s1
InChIKeyVODCWBZYFCMREF-LLVKDONJSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds2

About 2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one

2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 118447158) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID118447158
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC[C@]1(C)CCN(C(=O)C(C)(C)N)C1
InChIInChI=1S/C11H22N2O/c1-5-11(4)6-7-13(8-11)9(14)10(2,3)12/h5-8,12H2,1-4H3/t11-/m1/s1
InChIKeyVODCWBZYFCMREF-LLVKDONJSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane
CID 144942226
azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
CID 118447951
2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 114290679
[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 144942209
3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanenitrile
CID 62734025
2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120992499
N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide
CID 115695093
[(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
CID 147863064
2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one;hydrochloride
CID 119337411
2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 79811127
1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 127370172
6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65291232

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one (CID 118447158) is 2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one is CC[C@]1(C)CCN(C(=O)C(C)(C)N)C1.
What is the InChIKey of 2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is VODCWBZYFCMREF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-11(4)6-7-13(8-11)9(14)10(2,3)12/h5-8,12H2,1-4H3/t11-/m1/s1.
What are the key properties of 2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one?
2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 118447158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).