3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid

C14H24N2O2S — CID 55246483

IUPAC3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCC(C)CN(CCN(C)C)Cc1ccsc1C(=O)O
InChIInChI=1S/C14H24N2O2S/c1-11(2)9-16(7-6-15(3)4)10-12-5-8-19-13(12)14(17)18/h5,8,11H,6-7,9-10H2,1-4H3,(H,17,18)
InChIKeyIINLKWXTJFZMMV-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.47
Rot. Bonds8

About 3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid

3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 55246483) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID55246483
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCC(C)CN(CCN(C)C)Cc1ccsc1C(=O)O
InChIInChI=1S/C14H24N2O2S/c1-11(2)9-16(7-6-15(3)4)10-12-5-8-19-13(12)14(17)18/h5,8,11H,6-7,9-10H2,1-4H3,(H,17,18)
InChIKeyIINLKWXTJFZMMV-UHFFFAOYSA-N
XLogP2.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[methyl(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid
CID 63640914
3-(3-methylbutyl)thiophene-2-carboxylic acid
CID 141207026
3-[[3-(diethylamino)propyl-ethylamino]methyl]thiophene-2-carboxylic acid
CID 102994765
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 113409388
3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid
CID 65488572
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophene-2-carboxylic acid
CID 63640940
3-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid
CID 55245326
3-[[(4-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 55244181
5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide
CID 63583743
N'-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62426635
3-[(prop-2-enylamino)methyl]thiophene-2-carboxylic acid
CID 103230608

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid (CID 55246483) is 3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid is CC(C)CN(CCN(C)C)Cc1ccsc1C(=O)O.
What is the InChIKey of 3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is IINLKWXTJFZMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(2)9-16(7-6-15(3)4)10-12-5-8-19-13(12)14(17)18/h5,8,11H,6-7,9-10H2,1-4H3,(H,17,18).
What are the key properties of 3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid?
3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 284.43 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 55246483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).