2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

C14H25N3OS — CID 81493847

IUPAC2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)CN(C)CCCN)c1cccs1
InChIInChI=1S/C14H25N3OS/c1-11(2)14(12-6-4-9-19-12)16-13(18)10-17(3)8-5-7-15/h4,6,9,11,14H,5,7-8,10,15H2,1-3H3,(H,16,18)
InChIKeyPPOTVQMNQSFRKO-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.84
Rot. Bonds8

About 2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (PubChem CID 81493847) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
PubChem CID81493847
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)CN(C)CCCN)c1cccs1
InChIInChI=1S/C14H25N3OS/c1-11(2)14(12-6-4-9-19-12)16-13(18)10-17(3)8-5-7-15/h4,6,9,11,14H,5,7-8,10,15H2,1-3H3,(H,16,18)
InChIKeyPPOTVQMNQSFRKO-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]butanoic acid
CID 55005745
2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 107203732
2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51730175
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
5-amino-N-(2-methyl-1-thiophen-2-ylpropyl)hexanamide
CID 82848158
2-[bis(furan-2-ylmethyl)amino]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51487383
2-[bis(furan-2-ylmethyl)amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51487381
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 115613728
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 78824991
2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43709161
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (CID 81493847) is 2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is CC(C)C(NC(=O)CN(C)CCCN)c1cccs1.
What is the InChIKey of 2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The InChIKey is PPOTVQMNQSFRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-11(2)14(12-6-4-9-19-12)16-13(18)10-17(3)8-5-7-15/h4,6,9,11,14H,5,7-8,10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide has a molecular weight of 283.44 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 81493847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).