1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine

C11H19NS — CID 114979442

IUPAC1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc(C)c(C)s1
InChIInChI=1S/C11H19NS/c1-5-10(12-6-2)11-7-8(3)9(4)13-11/h7,10,12H,5-6H2,1-4H3
InChIKeyUOSGVZGBPVVLEK-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.43
Rot. Bonds4

About 1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine

1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine (PubChem CID 114979442) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine
PubChem CID114979442
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc(C)c(C)s1
InChIInChI=1S/C11H19NS/c1-5-10(12-6-2)11-7-8(3)9(4)13-11/h7,10,12H,5-6H2,1-4H3
InChIKeyUOSGVZGBPVVLEK-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine
CID 115819403
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051012
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844174
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 65239260
2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 104989694
2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 115864905
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105005190
1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 115846218
2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105001588
2-(4-bromo-2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105037758
2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105032393
N-[(4,5-dibromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 80533963

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine (CID 114979442) is 1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine is CCNC(CC)c1cc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine?
The InChIKey is UOSGVZGBPVVLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-5-10(12-6-2)11-7-8(3)9(4)13-11/h7,10,12H,5-6H2,1-4H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine?
1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine has a molecular weight of 197.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 114979442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).