2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide

C12H20N2OS — CID 79493734

IUPAC2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
SMILESCCC(CN)C(=O)N(C)CCc1cccs1
InChIInChI=1S/C12H20N2OS/c1-3-10(9-13)12(15)14(2)7-6-11-5-4-8-16-11/h4-5,8,10H,3,6-7,9,13H2,1-2H3
InChIKeyAACFZXTZTWKJPQ-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.73
Rot. Bonds6

About 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide

2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide (PubChem CID 79493734) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
PubChem CID79493734
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
SMILESCCC(CN)C(=O)N(C)CCc1cccs1
InChIInChI=1S/C12H20N2OS/c1-3-10(9-13)12(15)14(2)7-6-11-5-4-8-16-11/h4-5,8,10H,3,6-7,9,13H2,1-2H3
InChIKeyAACFZXTZTWKJPQ-UHFFFAOYSA-N
XLogP1.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494668
2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494038
2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79494761
2-amino-N-methyl-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79494111
2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120991220
(2R)-2-amino-N-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 79494737
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 106151574
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide
CID 115187094
N,2-dimethyl-3-(methylamino)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119807079
(3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide
CID 79493813
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide (CID 79493734) is 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide is CCC(CN)C(=O)N(C)CCc1cccs1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide?
The InChIKey is AACFZXTZTWKJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-10(9-13)12(15)14(2)7-6-11-5-4-8-16-11/h4-5,8,10H,3,6-7,9,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide?
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide has a molecular weight of 240.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 79493734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).