2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide

C15H27N3OS — CID 81490839

IUPAC2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(C)C(N)CCN(C)CC(=O)NCCc1cccs1
InChIInChI=1S/C15H27N3OS/c1-12(2)14(16)7-9-18(3)11-15(19)17-8-6-13-5-4-10-20-13/h4-5,10,12,14H,6-9,11,16H2,1-3H3,(H,17,19)
InChIKeyYRKMYNFIWXYWBP-UHFFFAOYSA-N
MW297.47 g/mol
LogP1.71
Rot. Bonds9

About 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide

2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 81490839) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID81490839
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(C)C(N)CCN(C)CC(=O)NCCc1cccs1
InChIInChI=1S/C15H27N3OS/c1-12(2)14(16)7-9-18(3)11-15(19)17-8-6-13-5-4-10-20-13/h4-5,10,12,14H,6-9,11,16H2,1-3H3,(H,17,19)
InChIKeyYRKMYNFIWXYWBP-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[methyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]butanoate
CID 62012890
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 8540690
N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide
CID 115317749
2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 47010656
methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate
CID 51091360
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 114952955
N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 119659075
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 115666347
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512951

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide (CID 81490839) is 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide is CC(C)C(N)CCN(C)CC(=O)NCCc1cccs1.
What is the InChIKey of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is YRKMYNFIWXYWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-12(2)14(16)7-9-18(3)11-15(19)17-8-6-13-5-4-10-20-13/h4-5,10,12,14H,6-9,11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide?
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 297.47 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 81490839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).