1-(4,5-dimethylthiophen-2-yl)-2-ethylbutan-1-amine

C12H21NS — CID 105013994

IUPAC1-(4,5-dimethylthiophen-2-yl)-2-ethylbutan-1-amine
SMILESCCC(CC)C(N)c1cc(C)c(C)s1
InChIInChI=1S/C12H21NS/c1-5-10(6-2)12(13)11-7-8(3)9(4)14-11/h7,10,12H,5-6,13H2,1-4H3
InChIKeyQNSSGNUTIJIAKM-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.80
Rot. Bonds4

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

1-(4,5-dimethylthiophen-2-yl)-2-ethylbutan-1-amine (PubChem CID 105013994) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-2-ethylbutan-1-amine
PubChem CID105013994
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-2-ethylbutan-1-amine
SMILESCCC(CC)C(N)c1cc(C)c(C)s1
InChIInChI=1S/C12H21NS/c1-5-10(6-2)12(13)11-7-8(3)9(4)14-11/h7,10,12H,5-6,13H2,1-4H3
InChIKeyQNSSGNUTIJIAKM-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one
CID 55294713
1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 102763473
1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine
CID 114979442
2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115800599
(3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 115797230
2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 65239408
1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 115846218
cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine
CID 115778964
(4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol
CID 65238991
1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine
CID 115794294
2-ethyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105168580
1-(4,5-dimethylthiophen-2-yl)decylhydrazine
CID 105293302

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-2-ethylbutan-1-amine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-2-ethylbutan-1-amine (CID 105013994) is 1-(4,5-dimethylthiophen-2-yl)-2-ethylbutan-1-amine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-2-ethylbutan-1-amine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-2-ethylbutan-1-amine is CCC(CC)C(N)c1cc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-2-ethylbutan-1-amine?
The InChIKey is QNSSGNUTIJIAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-5-10(6-2)12(13)11-7-8(3)9(4)14-11/h7,10,12H,5-6,13H2,1-4H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-2-ethylbutan-1-amine?
1-(4,5-dimethylthiophen-2-yl)-2-ethylbutan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.80, 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)-2-ethylbutan-1-amine is sourced from PubChem (CID 105013994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).