5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one

C13H27N3O — CID 104685422

IUPAC5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C13H27N3O/c1-10(6-5-7-14)13(17)16-8-11(2)12(9-16)15(3)4/h10-12H,5-9,14H2,1-4H3
InChIKeyDZTFJXRJQUSTRC-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.77
Rot. Bonds5

About 5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one

5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one (PubChem CID 104685422) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one
PubChem CID104685422
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C13H27N3O/c1-10(6-5-7-14)13(17)16-8-11(2)12(9-16)15(3)4/h10-12H,5-9,14H2,1-4H3
InChIKeyDZTFJXRJQUSTRC-UHFFFAOYSA-N
XLogP0.77
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propan-1-one
CID 107905567
2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]hexan-1-one
CID 81465315
(2S,3S)-2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-methylpentan-1-one
CID 81463691
5-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylpentan-1-one
CID 102932727
5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 104683408
3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 79184567
2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one
CID 81465305
2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methylsulfonylbutan-1-one
CID 81464234
1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 80544995
5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one
CID 104684531
5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one
CID 107218972
[1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81465283

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one (CID 104685422) is 5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one is CC(CCCN)C(=O)N1CC(C)C(N(C)C)C1.
What is the InChIKey of 5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one?
The InChIKey is DZTFJXRJQUSTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(6-5-7-14)13(17)16-8-11(2)12(9-16)15(3)4/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one?
5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one has a molecular weight of 241.38 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 104685422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).