N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride

C12H26ClN3O — CID 119922204

IUPACN-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCN(CC(=O)NC(C)(C)C)C1.Cl
InChIInChI=1S/C12H25N3O.ClH/c1-12(2,3)14-11(16)9-15-6-5-10(8-15)7-13-4;/h10,13H,5-9H2,1-4H3,(H,14,16);1H
InChIKeyRDECSXUTLLCUAL-UHFFFAOYSA-N
MW263.81 g/mol
LogP0.86
Rot. Bonds4

About N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride

N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride (PubChem CID 119922204) has the molecular formula C12H26ClN3O and a molecular weight of 263.81 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
PubChem CID119922204
Molecular FormulaC12H26ClN3O
Molecular Weight263.81 g/mol
Exact Mass263.18
IUPAC NameN-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCN(CC(=O)NC(C)(C)C)C1.Cl
InChIInChI=1S/C12H25N3O.ClH/c1-12(2,3)14-11(16)9-15-6-5-10(8-15)7-13-4;/h10,13H,5-9H2,1-4H3,(H,14,16);1H
InChIKeyRDECSXUTLLCUAL-UHFFFAOYSA-N
XLogP0.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride 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-(3-ethylpent-1-yn-3-yl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267637
2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide
CID 81492142
2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
CID 56773517
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 55168100
2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
CID 43186946
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 63267514
1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
CID 115918685
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63267736
N-tert-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63848272
2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119914462
N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267740
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119922199

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride (CID 119922204) is N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride is CNCC1CCN(CC(=O)NC(C)(C)C)C1.Cl.
What is the InChIKey of N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
The InChIKey is RDECSXUTLLCUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.ClH/c1-12(2,3)14-11(16)9-15-6-5-10(8-15)7-13-4;/h10,13H,5-9H2,1-4H3,(H,14,16);1H.
What are the key properties of N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride has a molecular weight of 263.81 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119922204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).