2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine

C13H23NS — CID 61473499

IUPAC2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
SMILESCCC(CC)CNC(C)c1ccc(C)s1
InChIInChI=1S/C13H23NS/c1-5-12(6-2)9-14-11(4)13-8-7-10(3)15-13/h7-8,11-12,14H,5-6,9H2,1-4H3
InChIKeyVWFHVXYDYCZYHI-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.14
Rot. Bonds6

About 2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine

2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine (PubChem CID 61473499) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
PubChem CID61473499
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
SMILESCCC(CC)CNC(C)c1ccc(C)s1
InChIInChI=1S/C13H23NS/c1-5-12(6-2)9-14-11(4)13-8-7-10(3)15-13/h7-8,11-12,14H,5-6,9H2,1-4H3
InChIKeyVWFHVXYDYCZYHI-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 103906827
2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 79547244
2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115895530
2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 83141831
2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 63983222
2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115713828
1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 54952800
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
CID 63455494
N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
CID 43109777

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine (CID 61473499) is 2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine is CCC(CC)CNC(C)c1ccc(C)s1.
What is the InChIKey of 2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine?
The InChIKey is VWFHVXYDYCZYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-5-12(6-2)9-14-11(4)13-8-7-10(3)15-13/h7-8,11-12,14H,5-6,9H2,1-4H3.
What are the key properties of 2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine?
2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 61473499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).