5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine

C13H24N4 — CID 103055926

IUPAC5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine
SMILESCCC(CC)CN(CC)Cc1cnc(N)cn1
InChIInChI=1S/C13H24N4/c1-4-11(5-2)9-17(6-3)10-12-7-16-13(14)8-15-12/h7-8,11H,4-6,9-10H2,1-3H3,(H2,14,16)
InChIKeyWKYBXLBBWPPZIB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.32
Rot. Bonds7

About 5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine

5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine (PubChem CID 103055926) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine
PubChem CID103055926
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine
SMILESCCC(CC)CN(CC)Cc1cnc(N)cn1
InChIInChI=1S/C13H24N4/c1-4-11(5-2)9-17(6-3)10-12-7-16-13(14)8-15-12/h7-8,11H,4-6,9-10H2,1-3H3,(H2,14,16)
InChIKeyWKYBXLBBWPPZIB-UHFFFAOYSA-N
XLogP2.32
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine?
The IUPAC name of 5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine (CID 103055926) is 5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine.
What is the SMILES notation for 5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine?
The canonical SMILES for 5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine is CCC(CC)CN(CC)Cc1cnc(N)cn1.
What is the InChIKey of 5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine?
The InChIKey is WKYBXLBBWPPZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-11(5-2)9-17(6-3)10-12-7-16-13(14)8-15-12/h7-8,11H,4-6,9-10H2,1-3H3,(H2,14,16).
What are the key properties of 5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine?
5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-ethylbutyl)amino]methyl]pyrazin-2-amine is sourced from PubChem (CID 103055926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).