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

C12H21NS — CID 115782273

IUPAC1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine
SMILESCCc1ccsc1C(CC(C)C)NC
InChIInChI=1S/C12H21NS/c1-5-10-6-7-14-12(10)11(13-4)8-9(2)3/h6-7,9,11,13H,5,8H2,1-4H3
InChIKeyBOKYHGBCSYCAFT-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.62
Rot. Bonds5

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

1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine (PubChem CID 115782273) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine
PubChem CID115782273
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine
SMILESCCc1ccsc1C(CC(C)C)NC
InChIInChI=1S/C12H21NS/c1-5-10-6-7-14-12(10)11(13-4)8-9(2)3/h6-7,9,11,13H,5,8H2,1-4H3
InChIKeyBOKYHGBCSYCAFT-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 115837220
1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848297
1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine
CID 115849879
N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 115787080
ethane;3-ethyl-2-propan-2-ylthiophene
CID 153374658
2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine
CID 105013834
2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 105037791
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 104996146
N-ethyl-1-(3-ethylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 105013350
2-(dichloromethyl)-3-ethylthiophene
CID 14685355
1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine
CID 104997344

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine (CID 115782273) is 1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine is CCc1ccsc1C(CC(C)C)NC.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is BOKYHGBCSYCAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-5-10-6-7-14-12(10)11(13-4)8-9(2)3/h6-7,9,11,13H,5,8H2,1-4H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine?
1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 115782273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).