2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide

C12H25N3O — CID 82014927

IUPAC2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)C1CNC(C)(C)C1
InChIInChI=1S/C12H25N3O/c1-4-5-6-15(9-11(13)16)10-7-12(2,3)14-8-10/h10,14H,4-9H2,1-3H3,(H2,13,16)
InChIKeyNAYQZOHDWXIKSZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds6

About 2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide

2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide (PubChem CID 82014927) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide
PubChem CID82014927
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)C1CNC(C)(C)C1
InChIInChI=1S/C12H25N3O/c1-4-5-6-15(9-11(13)16)10-7-12(2,3)14-8-10/h10,14H,4-9H2,1-3H3,(H2,13,16)
InChIKeyNAYQZOHDWXIKSZ-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(propan-2-yl)ethanediamide
CID 3156743
1-[2-(1,1-Dimethyl-propylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 11127915
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethanediamide
CID 3156690
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-propylethanediamide
CID 3156711
N-(butan-2-yl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]ethanediamide
CID 3156762
2-(2,2-Dimethyl-5-oxopyrrolidin-1-yl)-N-(2-hydroxy-2-iminoethyl)butanimidic acid
CID 3050862
2-(2,2-Dimethyl-5-oxopyrrolidin-1-yl)-N-(2-hydroxy-2-iminoethyl)propanimidic acid
CID 3050863
1-Pyrrolidineacetamide, 2,2-dimethyl-alpha-5-oxo-N-(2-oxo-2-(propylamino)ethyl)-
CID 3050864
1-Pyrrolidineacetamide, N-(1,1,3,3-tetramethylbutyl)-, hydrochloride
CID 24845344
2-{[(1-ethylpyrrolidin-2-yl)methyl]amino}-N,N-dimethylacetamide
CID 43180026
2-(2,2-dimethylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 72044880
N-[(4S)-1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidin-3-yl]acetamide
CID 156289006

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide?
The IUPAC name of 2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide (CID 82014927) is 2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for 2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for 2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide is CCCCN(CC(N)=O)C1CNC(C)(C)C1.
What is the InChIKey of 2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide?
The InChIKey is NAYQZOHDWXIKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-5-6-15(9-11(13)16)10-7-12(2,3)14-8-10/h10,14H,4-9H2,1-3H3,(H2,13,16).
What are the key properties of 2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide?
2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 82014927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).