N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine

C14H21N3S — CID 107974435

IUPACN-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
SMILESCCNC(Cc1ccc(CC)s1)c1cn(C)cn1
InChIInChI=1S/C14H21N3S/c1-4-11-6-7-12(18-11)8-13(15-5-2)14-9-17(3)10-16-14/h6-7,9-10,13,15H,4-5,8H2,1-3H3
InChIKeyRWXARUITEDRLJO-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.94
Rot. Bonds6

About N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine

N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine (PubChem CID 107974435) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
PubChem CID107974435
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
SMILESCCNC(Cc1ccc(CC)s1)c1cn(C)cn1
InChIInChI=1S/C14H21N3S/c1-4-11-6-7-12(18-11)8-13(15-5-2)14-9-17(3)10-16-14/h6-7,9-10,13,15H,4-5,8H2,1-3H3
InChIKeyRWXARUITEDRLJO-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978250
N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
CID 107973398
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107976951
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975696
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107975481
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107977346
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107974369
N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine
CID 107974380
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63412218
N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine
CID 107976217
N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine
CID 107977818
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115842305

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine (CID 107974435) is N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine is CCNC(Cc1ccc(CC)s1)c1cn(C)cn1.
What is the InChIKey of N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine?
The InChIKey is RWXARUITEDRLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-11-6-7-12(18-11)8-13(15-5-2)14-9-17(3)10-16-14/h6-7,9-10,13,15H,4-5,8H2,1-3H3.
What are the key properties of N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine?
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine has a molecular weight of 263.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 107974435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).