2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one

C11H22N2O — CID 79180939

IUPAC2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CC(C)C(C)C1
InChIInChI=1S/C11H22N2O/c1-7(2)10(12)11(14)13-5-8(3)9(4)6-13/h7-10H,5-6,12H2,1-4H3
InChIKeyPHQMOPUYZSZYLV-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.08
Rot. Bonds2

About 2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one

2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one (PubChem CID 79180939) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
PubChem CID79180939
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CC(C)C(C)C1
InChIInChI=1S/C11H22N2O/c1-7(2)10(12)11(14)13-5-8(3)9(4)6-13/h7-10H,5-6,12H2,1-4H3
InChIKeyPHQMOPUYZSZYLV-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117
2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66371799
(2S)-2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 79036110
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 102957109
3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 79184567
(2R)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 79011523
(2S)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 61148534
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181119
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid
CID 141387551
4-(3,4-dimethylpyrrolidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103498736

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one (CID 79180939) is 2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one is CC(C)C(N)C(=O)N1CC(C)C(C)C1.
What is the InChIKey of 2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one?
The InChIKey is PHQMOPUYZSZYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7(2)10(12)11(14)13-5-8(3)9(4)6-13/h7-10H,5-6,12H2,1-4H3.
What are the key properties of 2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one?
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 79180939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).