1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one

C11H22N2O — CID 131097871

IUPAC1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one
SMILESCCC(N)CN1C(=O)C(C)C(C)C1C
InChIInChI=1S/C11H22N2O/c1-5-10(12)6-13-9(4)7(2)8(3)11(13)14/h7-10H,5-6,12H2,1-4H3
InChIKeyQULPBRDCVFOIJW-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.23
Rot. Bonds3

About 1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one

1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one (PubChem CID 131097871) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one
PubChem CID131097871
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one
SMILESCCC(N)CN1C(=O)C(C)C(C)C1C
InChIInChI=1S/C11H22N2O/c1-5-10(12)6-13-9(4)7(2)8(3)11(13)14/h7-10H,5-6,12H2,1-4H3
InChIKeyQULPBRDCVFOIJW-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one
CID 130899092
1-(3-bromo-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one
CID 130941367
1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one
CID 131198115
3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103549504
1,4-diethyl-3-methylazetidin-2-one
CID 123697315
2-(2-aminobutyl)pyridazin-3-one
CID 62850307
3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94753955
1-(bromomethylsulfonyl)-3,4,5-trimethylpyrrolidin-2-one
CID 131223544
1-(2-aminobutyl)pyrimidin-2-one
CID 62040793
3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82148488
5-amino-1-ethyl-6-methylpiperidin-2-one
CID 83682095
1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one
CID 104679974

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one?
The IUPAC name of 1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one (CID 131097871) is 1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one?
The canonical SMILES for 1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one is CCC(N)CN1C(=O)C(C)C(C)C1C.
What is the InChIKey of 1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one?
The InChIKey is QULPBRDCVFOIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-10(12)6-13-9(4)7(2)8(3)11(13)14/h7-10H,5-6,12H2,1-4H3.
What are the key properties of 1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one?
1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one is sourced from PubChem (CID 131097871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).