5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid

C13H22N2O2S — CID 63377960

IUPAC5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid
SMILESCCCN(CCN(C)C)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C13H22N2O2S/c1-4-7-15(9-8-14(2)3)10-11-5-6-12(18-11)13(16)17/h5-6H,4,7-10H2,1-3H3,(H,16,17)
InChIKeyDFBYDTPVOMERLE-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.22
Rot. Bonds8

About 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid

5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid (PubChem CID 63377960) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid
PubChem CID63377960
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid
SMILESCCCN(CCN(C)C)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C13H22N2O2S/c1-4-7-15(9-8-14(2)3)10-11-5-6-12(18-11)13(16)17/h5-6H,4,7-10H2,1-3H3,(H,16,17)
InChIKeyDFBYDTPVOMERLE-UHFFFAOYSA-N
XLogP2.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(dipropylamino)methyl]thiophene-2-carbohydrazide
CID 63570424
5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]thiophene-2-carboxylic acid
CID 103189702
5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide
CID 63583743
5-[[(2-amino-2-methylpentanoyl)-propylamino]methyl]thiophene-2-carboxylic acid
CID 175245398
5-[[1-cyanopropan-2-yl(methyl)amino]methyl]thiophene-2-carboxylic acid
CID 63377933
2-[(5-methylthiophen-2-yl)methyl-propylamino]acetic acid
CID 65064587
5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid
CID 63378189
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
CID 63377922
5-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]thiophene-2-carboxylic acid
CID 63377774
methyl 5-(diethylaminomethyl)thiophene-2-carboxylate
CID 71563456
5-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carboxylic acid
CID 63377803
5-[(N,3,5-trimethylanilino)methyl]thiophene-2-carboxylic acid
CID 63378033

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid (CID 63377960) is 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid is CCCN(CCN(C)C)Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid?
The InChIKey is DFBYDTPVOMERLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-7-15(9-8-14(2)3)10-11-5-6-12(18-11)13(16)17/h5-6H,4,7-10H2,1-3H3,(H,16,17).
What are the key properties of 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid?
5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid has a molecular weight of 270.40 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63377960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).