2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine

C17H19N3S — CID 43786598

IUPAC2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1cnc2ccccc2n1)c1cccs1
InChIInChI=1S/C17H19N3S/c1-12(2)17(16-8-5-9-21-16)19-11-13-10-18-14-6-3-4-7-15(14)20-13/h3-10,12,17,19H,11H2,1-2H3
InChIKeyCAHSDJYAENDMHL-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.18
Rot. Bonds5

About 2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine

2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine (PubChem CID 43786598) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
PubChem CID43786598
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1cnc2ccccc2n1)c1cccs1
InChIInChI=1S/C17H19N3S/c1-12(2)17(16-8-5-9-21-16)19-11-13-10-18-14-6-3-4-7-15(14)20-13/h3-10,12,17,19H,11H2,1-2H3
InChIKeyCAHSDJYAENDMHL-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 43769302
2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 79002812
(1R)-1-(furan-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81400826
2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 61284440
N-(1-thiophen-2-ylethyl)quinoxalin-2-amine
CID 47142874
(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81363891
N-(quinoxalin-2-ylmethyl)hexan-2-amine
CID 55050397
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103244696
1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43780222
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 43225843
1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 106388068
N-ethyl-3-methyl-1-quinoxalin-2-ylbutan-2-amine
CID 63201806

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine (CID 43786598) is 2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCc1cnc2ccccc2n1)c1cccs1.
What is the InChIKey of 2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The InChIKey is CAHSDJYAENDMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-12(2)17(16-8-5-9-21-16)19-11-13-10-18-14-6-3-4-7-15(14)20-13/h3-10,12,17,19H,11H2,1-2H3.
What are the key properties of 2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine has a molecular weight of 297.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43786598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).