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

C13H22N2OS — CID 79494668

IUPAC2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
SMILESCCCC(CN)C(=O)N(C)CCc1cccs1
InChIInChI=1S/C13H22N2OS/c1-3-5-11(10-14)13(16)15(2)8-7-12-6-4-9-17-12/h4,6,9,11H,3,5,7-8,10,14H2,1-2H3
InChIKeyBOWHUWGBQSTCJM-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.12
Rot. Bonds7

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

2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide (PubChem CID 79494668) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
PubChem CID79494668
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
SMILESCCCC(CN)C(=O)N(C)CCc1cccs1
InChIInChI=1S/C13H22N2OS/c1-3-5-11(10-14)13(16)15(2)8-7-12-6-4-9-17-12/h4,6,9,11H,3,5,7-8,10,14H2,1-2H3
InChIKeyBOWHUWGBQSTCJM-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79493734
2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494038
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide
CID 65227703
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
2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79494761
2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine
CID 79476641
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506
(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
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

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide (CID 79494668) is 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide is CCCC(CN)C(=O)N(C)CCc1cccs1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide?
The InChIKey is BOWHUWGBQSTCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-5-11(10-14)13(16)15(2)8-7-12-6-4-9-17-12/h4,6,9,11H,3,5,7-8,10,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide?
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide has a molecular weight of 254.40 g/mol, XLogP of 2.12, 7 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)pentanamide is sourced from PubChem (CID 79494668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).