N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine

C17H19N3S — CID 105161984

IUPACN-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(C)s1)c1cccc2nccnc12
InChIInChI=1S/C17H19N3S/c1-3-9-19-17(15-8-7-12(2)21-15)13-5-4-6-14-16(13)20-11-10-18-14/h4-8,10-11,17,19H,3,9H2,1-2H3
InChIKeyCOHJYKCHADJNLZ-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.09
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine

N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine (PubChem CID 105161984) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
PubChem CID105161984
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(C)s1)c1cccc2nccnc12
InChIInChI=1S/C17H19N3S/c1-3-9-19-17(15-8-7-12(2)21-15)13-5-4-6-14-16(13)20-11-10-18-14/h4-8,10-11,17,19H,3,9H2,1-2H3
InChIKeyCOHJYKCHADJNLZ-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine
CID 105173375
N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 105148549
N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 107361665
N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 113329640
N-[(3-methoxypyrazin-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105031971
N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494208
N-[(2-chlorofuran-3-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 106684250
N-propyl-1-quinoxalin-5-ylhexan-1-amine
CID 105129498
N-[(2,4-dimethylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494187
N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63048599
4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine
CID 105156277
N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63506843

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine (CID 105161984) is N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine is CCCNC(c1ccc(C)s1)c1cccc2nccnc12.
What is the InChIKey of N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine?
The InChIKey is COHJYKCHADJNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-3-9-19-17(15-8-7-12(2)21-15)13-5-4-6-14-16(13)20-11-10-18-14/h4-8,10-11,17,19H,3,9H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine?
N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine has a molecular weight of 297.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 105161984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).