N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine

C15H15N3S — CID 65104878

IUPACN-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1)c1ccc2nccnc2c1
InChIInChI=1S/C15H15N3S/c1-2-16-15(12-5-8-19-10-12)11-3-4-13-14(9-11)18-7-6-17-13/h3-10,15-16H,2H2,1H3
InChIKeyHXAJSJOUOMNVOK-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.39
Rot. Bonds4

About N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine

N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine (PubChem CID 65104878) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine
PubChem CID65104878
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1)c1ccc2nccnc2c1
InChIInChI=1S/C15H15N3S/c1-2-16-15(12-5-8-19-10-12)11-3-4-13-14(9-11)18-7-6-17-13/h3-10,15-16H,2H2,1H3
InChIKeyHXAJSJOUOMNVOK-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[quinoxalin-6-yl(thiophen-3-yl)methyl]hydrazine
CID 105221830
N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine
CID 81220693
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 62791707
N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489387
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine
CID 63020064
N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine
CID 104738240
N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489158
N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489786
N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 114330646
N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine
CID 43488230
N-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine
CID 79590361

Frequently Asked Questions

What is the IUPAC name of N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine (CID 65104878) is N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine is CCNC(c1ccsc1)c1ccc2nccnc2c1.
What is the InChIKey of N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine?
The InChIKey is HXAJSJOUOMNVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-16-15(12-5-8-19-10-12)11-3-4-13-14(9-11)18-7-6-17-13/h3-10,15-16H,2H2,1H3.
What are the key properties of N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine?
N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine has a molecular weight of 269.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 65104878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).