N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine

C13H23NS — CID 62600764

IUPACN-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine
SMILESCCNC(Cc1ccc(CC)s1)C(C)C
InChIInChI=1S/C13H23NS/c1-5-11-7-8-12(15-11)9-13(10(3)4)14-6-2/h7-8,10,13-14H,5-6,9H2,1-4H3
InChIKeyHPMRGUYHGNDYKV-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.49
Rot. Bonds6

About N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine

N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine (PubChem CID 62600764) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine
PubChem CID62600764
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine
SMILESCCNC(Cc1ccc(CC)s1)C(C)C
InChIInChI=1S/C13H23NS/c1-5-11-7-8-12(15-11)9-13(10(3)4)14-6-2/h7-8,10,13-14H,5-6,9H2,1-4H3
InChIKeyHPMRGUYHGNDYKV-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(5-ethylthiophen-2-yl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132130
N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine
CID 61469407
N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine
CID 60999156
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63412218
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423043
N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine
CID 62604111
2,5-diethylthiophene
CID 521294
N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine
CID 60996677
N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 65127910
3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine
CID 64539860
N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine
CID 115842720
N-ethyl-1-(5-ethylthiophen-2-yl)-4-methoxybutan-2-amine
CID 62602949

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine?
The IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine (CID 62600764) is N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine is CCNC(Cc1ccc(CC)s1)C(C)C.
What is the InChIKey of N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine?
The InChIKey is HPMRGUYHGNDYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-5-11-7-8-12(15-11)9-13(10(3)4)14-6-2/h7-8,10,13-14H,5-6,9H2,1-4H3.
What are the key properties of N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine?
N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine has a molecular weight of 225.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 62600764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).