2-N-(2-ethylhexyl)pyrazine-2,5-diamine

C12H22N4 — CID 107818873

IUPAC2-N-(2-ethylhexyl)pyrazine-2,5-diamine
SMILESCCCCC(CC)CNc1cnc(N)cn1
InChIInChI=1S/C12H22N4/c1-3-5-6-10(4-2)7-15-12-9-14-11(13)8-16-12/h8-10H,3-7H2,1-2H3,(H2,13,14)(H,15,16)
InChIKeyMMGKYVCCGLFLJK-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.69
Rot. Bonds7

About 2-N-(2-ethylhexyl)pyrazine-2,5-diamine

2-N-(2-ethylhexyl)pyrazine-2,5-diamine (PubChem CID 107818873) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-N-(2-ethylhexyl)pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-ethylhexyl)pyrazine-2,5-diamine
PubChem CID107818873
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-N-(2-ethylhexyl)pyrazine-2,5-diamine
SMILESCCCCC(CC)CNc1cnc(N)cn1
InChIInChI=1S/C12H22N4/c1-3-5-6-10(4-2)7-15-12-9-14-11(13)8-16-12/h8-10H,3-7H2,1-2H3,(H2,13,14)(H,15,16)
InChIKeyMMGKYVCCGLFLJK-UHFFFAOYSA-N
XLogP2.69
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(2-ethylhexyl)pyrazine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-ethylhexylamino)pyrazine-2-carboxylic acid
CID 107815568
2-N-hexylpyrazine-2,5-diamine
CID 80652876
2-N-octylpyrazine-2,5-diamine
CID 115565252
2-N-(2-ethylhexyl)-6-N-methylpyrazine-2,6-diamine
CID 114004493
N-(2-ethylhexyl)-5-methylpyrimidin-2-amine
CID 107816474
4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine
CID 129414271
2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine
CID 107819858
2-N-(2-ethylhexyl)-3-methylpyridine-2,5-diamine
CID 107819841
5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine
CID 107819500
6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine
CID 107816361
6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine
CID 114004473
8-N-(2-ethylhexyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 107818998

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylhexyl)pyrazine-2,5-diamine?
The IUPAC name of 2-N-(2-ethylhexyl)pyrazine-2,5-diamine (CID 107818873) is 2-N-(2-ethylhexyl)pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(2-ethylhexyl)pyrazine-2,5-diamine?
The canonical SMILES for 2-N-(2-ethylhexyl)pyrazine-2,5-diamine is CCCCC(CC)CNc1cnc(N)cn1.
What is the InChIKey of 2-N-(2-ethylhexyl)pyrazine-2,5-diamine?
The InChIKey is MMGKYVCCGLFLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-5-6-10(4-2)7-15-12-9-14-11(13)8-16-12/h8-10H,3-7H2,1-2H3,(H2,13,14)(H,15,16).
What are the key properties of 2-N-(2-ethylhexyl)pyrazine-2,5-diamine?
2-N-(2-ethylhexyl)pyrazine-2,5-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylhexyl)pyrazine-2,5-diamine is sourced from PubChem (CID 107818873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).