1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one

C12H24N2O — CID 118447947

IUPAC1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one
SMILESCNCC(C)(C)C(=O)N1CCC(C)(C)C1
InChIInChI=1S/C12H24N2O/c1-11(2)6-7-14(9-11)10(15)12(3,4)8-13-5/h13H,6-9H2,1-5H3
InChIKeyBCAFFYCHNOFUJX-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.49
Rot. Bonds3

About 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one

1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one (PubChem CID 118447947) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one
PubChem CID118447947
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one
SMILESCNCC(C)(C)C(=O)N1CCC(C)(C)C1
InChIInChI=1S/C12H24N2O/c1-11(2)6-7-14(9-11)10(15)12(3,4)8-13-5/h13H,6-9H2,1-5H3
InChIKeyBCAFFYCHNOFUJX-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 104937026
1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one
CID 126993688
2-bromo-1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 114328908
2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone
CID 79036668
3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115428947
1-(3,3-dimethylpyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107032417
1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 62931262
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251
1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 55165762
3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 115270808
N-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739998
4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65300164

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one (CID 118447947) is 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one is CNCC(C)(C)C(=O)N1CCC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one?
The InChIKey is BCAFFYCHNOFUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2)6-7-14(9-11)10(15)12(3,4)8-13-5/h13H,6-9H2,1-5H3.
What are the key properties of 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one?
1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 118447947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).