1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one

C11H22N2O — CID 20737880

IUPAC1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CC(N)CN1C(C)C
InChIInChI=1S/C11H22N2O/c1-7(2)11(14)10-5-9(12)6-13(10)8(3)4/h7-10H,5-6,12H2,1-4H3
InChIKeyRWDGXQZVYKBWCD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.02
Rot. Bonds3

About 1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one

1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one (PubChem CID 20737880) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
PubChem CID20737880
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CC(N)CN1C(C)C
InChIInChI=1S/C11H22N2O/c1-7(2)11(14)10-5-9(12)6-13(10)8(3)4/h7-10H,5-6,12H2,1-4H3
InChIKeyRWDGXQZVYKBWCD-UHFFFAOYSA-N
XLogP1.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one (CID 20737880) is 1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one is CC(C)C(=O)C1CC(N)CN1C(C)C.
What is the InChIKey of 1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one?
The InChIKey is RWDGXQZVYKBWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7(2)11(14)10-5-9(12)6-13(10)8(3)4/h7-10H,5-6,12H2,1-4H3.
What are the key properties of 1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one?
1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 20737880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).