2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine

C13H23NS — CID 105013834

IUPAC2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine
SMILESCCc1ccsc1C(NC)C(CC)CC
InChIInChI=1S/C13H23NS/c1-5-10(6-2)12(14-4)13-11(7-3)8-9-15-13/h8-10,12,14H,5-7H2,1-4H3
InChIKeyUKHVAEBTTHACMN-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.01
Rot. Bonds6

About 2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine

2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine (PubChem CID 105013834) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine
PubChem CID105013834
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine
SMILESCCc1ccsc1C(NC)C(CC)CC
InChIInChI=1S/C13H23NS/c1-5-10(6-2)12(14-4)13-11(7-3)8-9-15-13/h8-10,12,14H,5-7H2,1-4H3
InChIKeyUKHVAEBTTHACMN-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine
CID 115782273
1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848297
1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 115837220
2-(dichloromethyl)-3-ethylthiophene
CID 14685355
ethane;3-ethyl-2-propan-2-ylthiophene
CID 153374658
1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine
CID 115849879
[1-(3-ethylthiophen-2-yl)-2-methylpentyl]hydrazine
CID 107895882
N-ethyl-1-(3-ethylthiophen-2-yl)-2-methylpentan-1-amine
CID 107893684
N-methyl-1-(3-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 82984360
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991296
[(3-chlorothiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 107362343

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine (CID 105013834) is 2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine is CCc1ccsc1C(NC)C(CC)CC.
What is the InChIKey of 2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine?
The InChIKey is UKHVAEBTTHACMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-5-10(6-2)12(14-4)13-11(7-3)8-9-15-13/h8-10,12,14H,5-7H2,1-4H3.
What are the key properties of 2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine?
2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 105013834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).