5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid

C15H26N2O2S — CID 103233758

IUPAC5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid
SMILESCCN(CC)CCCC(C)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C15H26N2O2S/c1-4-17(5-2)10-6-7-12(3)16-11-13-8-9-14(20-13)15(18)19/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,18,19)
InChIKeyBLRGYAQKFPPDFB-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.05
Rot. Bonds10

About 5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid

5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid (PubChem CID 103233758) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid
PubChem CID103233758
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid
SMILESCCN(CC)CCCC(C)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C15H26N2O2S/c1-4-17(5-2)10-6-7-12(3)16-11-13-8-9-14(20-13)15(18)19/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,18,19)
InChIKeyBLRGYAQKFPPDFB-UHFFFAOYSA-N
XLogP3.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid with MolForge

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Related Compounds

2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid
CID 82886272
5-[(heptan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103247320
5-[(4-ethylsulfanylbutan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103268666
5-[(4-methylsulfanylbutan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103265848
1-N,1-N-diethyl-4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
CID 54883558
[5-[[5-(diethylamino)pentan-2-ylamino]methyl]furan-2-yl]methanol
CID 64578392
4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 102830415
6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid
CID 65289197
5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103246721
2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide
CID 43199220
2-[5-[(5-hydroxypentan-2-ylamino)methyl]thiophen-2-yl]acetic acid
CID 82888365
1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 43178391

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid (CID 103233758) is 5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid is CCN(CC)CCCC(C)NCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid?
The InChIKey is BLRGYAQKFPPDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-17(5-2)10-6-7-12(3)16-11-13-8-9-14(20-13)15(18)19/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,18,19).
What are the key properties of 5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid?
5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid has a molecular weight of 298.45 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103233758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).