ethane;3-ethyl-N-methylpyrazin-2-amine;2-ethyl-N-methylpyridin-3-amine

C21H41N5 — CID 142520346

IUPACethane;3-ethyl-N-methylpyrazin-2-amine;2-ethyl-N-methylpyridin-3-amine
SMILESCC.CC.CC.CCc1ncccc1NC.CCc1nccnc1NC
InChIInChI=1S/C8H12N2.C7H11N3.3C2H6/c1-3-7-8(9-2)5-4-6-10-7;1-3-6-7(8-2)10-5-4-9-6;3*1-2/h4-6,9H,3H2,1-2H3;4-5H,3H2,1-2H3,(H,8,10);3*1-2H3
InChIKeyXJEDOBZMUCGODI-UHFFFAOYSA-N
MW363.59 g/mol
LogP5.84
Rot. Bonds4

About ethane;3-ethyl-N-methylpyrazin-2-amine;2-ethyl-N-methylpyridin-3-amine

ethane;3-ethyl-N-methylpyrazin-2-amine;2-ethyl-N-methylpyridin-3-amine (PubChem CID 142520346) has the molecular formula C21H41N5 and a molecular weight of 363.59 g/mol. Its IUPAC name is ethane;3-ethyl-N-methylpyrazin-2-amine;2-ethyl-N-methylpyridin-3-amine.

Molecular Properties

Compound Nameethane;3-ethyl-N-methylpyrazin-2-amine;2-ethyl-N-methylpyridin-3-amine
PubChem CID142520346
Molecular FormulaC21H41N5
Molecular Weight363.59 g/mol
Exact Mass363.34
IUPAC Nameethane;3-ethyl-N-methylpyrazin-2-amine;2-ethyl-N-methylpyridin-3-amine
SMILESCC.CC.CC.CCc1ncccc1NC.CCc1nccnc1NC
InChIInChI=1S/C8H12N2.C7H11N3.3C2H6/c1-3-7-8(9-2)5-4-6-10-7;1-3-6-7(8-2)10-5-4-9-6;3*1-2/h4-6,9H,3H2,1-2H3;4-5H,3H2,1-2H3,(H,8,10);3*1-2H3
InChIKeyXJEDOBZMUCGODI-UHFFFAOYSA-N
XLogP5.84
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-N-methylpyrazin-2-amine;2-ethyl-N-methylpyridin-3-amine?
The IUPAC name of ethane;3-ethyl-N-methylpyrazin-2-amine;2-ethyl-N-methylpyridin-3-amine (CID 142520346) is ethane;3-ethyl-N-methylpyrazin-2-amine;2-ethyl-N-methylpyridin-3-amine.
What is the SMILES notation for ethane;3-ethyl-N-methylpyrazin-2-amine;2-ethyl-N-methylpyridin-3-amine?
The canonical SMILES for ethane;3-ethyl-N-methylpyrazin-2-amine;2-ethyl-N-methylpyridin-3-amine is CC.CC.CC.CCc1ncccc1NC.CCc1nccnc1NC.
What is the InChIKey of ethane;3-ethyl-N-methylpyrazin-2-amine;2-ethyl-N-methylpyridin-3-amine?
The InChIKey is XJEDOBZMUCGODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C7H11N3.3C2H6/c1-3-7-8(9-2)5-4-6-10-7;1-3-6-7(8-2)10-5-4-9-6;3*1-2/h4-6,9H,3H2,1-2H3;4-5H,3H2,1-2H3,(H,8,10);3*1-2H3.
What are the key properties of ethane;3-ethyl-N-methylpyrazin-2-amine;2-ethyl-N-methylpyridin-3-amine?
ethane;3-ethyl-N-methylpyrazin-2-amine;2-ethyl-N-methylpyridin-3-amine has a molecular weight of 363.59 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-N-methylpyrazin-2-amine;2-ethyl-N-methylpyridin-3-amine is sourced from PubChem (CID 142520346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).