(4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine

C12H19N3 — CID 115096491

IUPAC(4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine
SMILESCCN1c2c(CN)cccc2NCC1C
InChIInChI=1S/C12H19N3/c1-3-15-9(2)8-14-11-6-4-5-10(7-13)12(11)15/h4-6,9,14H,3,7-8,13H2,1-2H3
InChIKeyQRHQWGAXCFYHJR-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.79
Rot. Bonds2

About (4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine

(4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine (PubChem CID 115096491) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine.

Molecular Properties

Compound Name(4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine
PubChem CID115096491
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine
SMILESCCN1c2c(CN)cccc2NCC1C
InChIInChI=1S/C12H19N3/c1-3-15-9(2)8-14-11-6-4-5-10(7-13)12(11)15/h4-6,9,14H,3,7-8,13H2,1-2H3
InChIKeyQRHQWGAXCFYHJR-UHFFFAOYSA-N
XLogP1.79
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine?
The IUPAC name of (4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine (CID 115096491) is (4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine.
What is the SMILES notation for (4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine?
The canonical SMILES for (4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine is CCN1c2c(CN)cccc2NCC1C.
What is the InChIKey of (4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine?
The InChIKey is QRHQWGAXCFYHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-15-9(2)8-14-11-6-4-5-10(7-13)12(11)15/h4-6,9,14H,3,7-8,13H2,1-2H3.
What are the key properties of (4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine?
(4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine has a molecular weight of 205.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine is sourced from PubChem (CID 115096491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).