1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine

C12H21NS — CID 62622020

IUPAC1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine
SMILESCCc1ccc(CC(C)(N)C(C)C)s1
InChIInChI=1S/C12H21NS/c1-5-10-6-7-11(14-10)8-12(4,13)9(2)3/h6-7,9H,5,8,13H2,1-4H3
InChIKeyBJEYVZVIXAOOTJ-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.23
Rot. Bonds4

About 1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine

1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine (PubChem CID 62622020) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine
PubChem CID62622020
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine
SMILESCCc1ccc(CC(C)(N)C(C)C)s1
InChIInChI=1S/C12H21NS/c1-5-10-6-7-11(14-10)8-12(4,13)9(2)3/h6-7,9H,5,8,13H2,1-4H3
InChIKeyBJEYVZVIXAOOTJ-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-ethylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79450205
3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol
CID 65394038
2,5-diethylthiophene
CID 521294
5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine
CID 64715317
2-(4-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine
CID 55096063
2-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 79450812
1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine
CID 115842630
2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine
CID 62620893
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
CID 115842663
tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate
CID 83226704
2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-ethylthiophene
CID 102642284

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine (CID 62622020) is 1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine is CCc1ccc(CC(C)(N)C(C)C)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine?
The InChIKey is BJEYVZVIXAOOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-5-10-6-7-11(14-10)8-12(4,13)9(2)3/h6-7,9H,5,8,13H2,1-4H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine?
1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine has a molecular weight of 211.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine is sourced from PubChem (CID 62622020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).