2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide

C13H22N2OS — CID 65229248

IUPAC2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
SMILESCCCC(NC(=O)C(CC)CN)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-3-6-11(12-7-5-8-17-12)15-13(16)10(4-2)9-14/h5,7-8,10-11H,3-4,6,9,14H2,1-2H3,(H,15,16)
InChIKeyJHWVXWGYVWIBJB-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.69
Rot. Bonds7

About 2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide

2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide (PubChem CID 65229248) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
PubChem CID65229248
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
SMILESCCCC(NC(=O)C(CC)CN)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-3-6-11(12-7-5-8-17-12)15-13(16)10(4-2)9-14/h5,7-8,10-11H,3-4,6,9,14H2,1-2H3,(H,15,16)
InChIKeyJHWVXWGYVWIBJB-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81407804
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985
5-amino-2-methyl-N-(1-thiophen-2-ylbutyl)pentanamide
CID 104684884
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide
CID 79203080
(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide
CID 78984626
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide
CID 81087987
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
1-(aminomethyl)-N-(1-thiophen-2-ylbutyl)cyclopentane-1-carboxamide
CID 115435212

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide (CID 65229248) is 2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide is CCCC(NC(=O)C(CC)CN)c1cccs1.
What is the InChIKey of 2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide?
The InChIKey is JHWVXWGYVWIBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-6-11(12-7-5-8-17-12)15-13(16)10(4-2)9-14/h5,7-8,10-11H,3-4,6,9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide?
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide has a molecular weight of 254.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide is sourced from PubChem (CID 65229248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).