1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one

C11H22N2O — CID 130557857

IUPAC1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCC(N)C1C
InChIInChI=1S/C11H22N2O/c1-5-11(3,4)10(14)13-7-6-9(12)8(13)2/h8-9H,5-7,12H2,1-4H3
InChIKeyOSPAGDFMXFPSOU-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds2

About 1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one

1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one (PubChem CID 130557857) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one
PubChem CID130557857
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCC(N)C1C
InChIInChI=1S/C11H22N2O/c1-5-11(3,4)10(14)13-7-6-9(12)8(13)2/h8-9H,5-7,12H2,1-4H3
InChIKeyOSPAGDFMXFPSOU-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one?
The IUPAC name of 1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one (CID 130557857) is 1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one is CCC(C)(C)C(=O)N1CCC(N)C1C.
What is the InChIKey of 1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one?
The InChIKey is OSPAGDFMXFPSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-11(3,4)10(14)13-7-6-9(12)8(13)2/h8-9H,5-7,12H2,1-4H3.
What are the key properties of 1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one?
1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-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 1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one is sourced from PubChem (CID 130557857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).