(1S)-N-methyl-1-quinoxalin-5-ylethanamine

C11H13N3 — CID 131196182

IUPAC(1S)-N-methyl-1-quinoxalin-5-ylethanamine
SMILESCN[C@@H](C)c1cccc2nccnc12
InChIInChI=1S/C11H13N3/c1-8(12-2)9-4-3-5-10-11(9)14-7-6-13-10/h3-8,12H,1-2H3/t8-/m0/s1
InChIKeyBPAQRUYXPSRUSU-QMMMGPOBSA-N
MW187.25 g/mol
LogP1.91
Rot. Bonds2

About (1S)-N-methyl-1-quinoxalin-5-ylethanamine

(1S)-N-methyl-1-quinoxalin-5-ylethanamine (PubChem CID 131196182) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (1S)-N-methyl-1-quinoxalin-5-ylethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-quinoxalin-5-ylethanamine
PubChem CID131196182
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(1S)-N-methyl-1-quinoxalin-5-ylethanamine
SMILESCN[C@@H](C)c1cccc2nccnc12
InChIInChI=1S/C11H13N3/c1-8(12-2)9-4-3-5-10-11(9)14-7-6-13-10/h3-8,12H,1-2H3/t8-/m0/s1
InChIKeyBPAQRUYXPSRUSU-QMMMGPOBSA-N
XLogP1.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-phenyl-1-quinoxalin-5-ylmethanamine
CID 105084067
1-cyclopropyl-N-methyl-1-quinoxalin-5-ylmethanamine
CID 105157235
5-butan-2-ylquinoxaline
CID 123654553
N-methyl-2-pyridin-2-yl-1-quinoxalin-5-ylethanamine
CID 105158086
N-methyl-1-(2-methylthiophen-3-yl)-1-quinoxalin-5-ylmethanamine
CID 102841956
N-methyl-1-quinoxalin-5-ylheptan-1-amine
CID 105126260
1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine
CID 105143729
N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 104615660
N-methyl-2-propoxy-1-quinoxalin-5-ylethanamine
CID 105165419
[(4-methylphenyl)-quinoxalin-5-ylmethyl]hydrazine
CID 105285393
(1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine
CID 66510215
[(2-methoxyphenyl)-quinoxalin-5-ylmethyl]hydrazine
CID 105285741

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-quinoxalin-5-ylethanamine?
The IUPAC name of (1S)-N-methyl-1-quinoxalin-5-ylethanamine (CID 131196182) is (1S)-N-methyl-1-quinoxalin-5-ylethanamine.
What is the SMILES notation for (1S)-N-methyl-1-quinoxalin-5-ylethanamine?
The canonical SMILES for (1S)-N-methyl-1-quinoxalin-5-ylethanamine is CN[C@@H](C)c1cccc2nccnc12.
What is the InChIKey of (1S)-N-methyl-1-quinoxalin-5-ylethanamine?
The InChIKey is BPAQRUYXPSRUSU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3/c1-8(12-2)9-4-3-5-10-11(9)14-7-6-13-10/h3-8,12H,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-N-methyl-1-quinoxalin-5-ylethanamine?
(1S)-N-methyl-1-quinoxalin-5-ylethanamine has a molecular weight of 187.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-quinoxalin-5-ylethanamine is sourced from PubChem (CID 131196182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).