2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine

C12H22N4 — CID 80846039

IUPAC2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine
SMILESCCC(CC)C(C)Nc1cncc(NC)n1
InChIInChI=1S/C12H22N4/c1-5-10(6-2)9(3)15-12-8-14-7-11(13-4)16-12/h7-10H,5-6H2,1-4H3,(H2,13,15,16)
InChIKeyNBVPJVAJCGKJTQ-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.75
Rot. Bonds6

About 2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine

2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine (PubChem CID 80846039) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine
PubChem CID80846039
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine
SMILESCCC(CC)C(C)Nc1cncc(NC)n1
InChIInChI=1S/C12H22N4/c1-5-10(6-2)9(3)15-12-8-14-7-11(13-4)16-12/h7-10H,5-6H2,1-4H3,(H2,13,15,16)
InChIKeyNBVPJVAJCGKJTQ-UHFFFAOYSA-N
XLogP2.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine
CID 80817416
2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 113387591
N-(3-ethylpentan-2-yl)quinolin-2-amine
CID 55260765
2-N-(2-ethylhexyl)-6-N-methylpyrazine-2,6-diamine
CID 114004493
N-(3-ethylpentan-2-yl)-5-fluoropyridin-2-amine
CID 63836752
2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine
CID 63842921
5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63837105
2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802030
2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802046
2-N-ethyl-6-N-methyl-2-N-(2-methylbutyl)pyrazine-2,6-diamine
CID 80850264
6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine
CID 80800505
6-N-methyl-2-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2,6-diamine
CID 80839162

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine (CID 80846039) is 2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine is CCC(CC)C(C)Nc1cncc(NC)n1.
What is the InChIKey of 2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine?
The InChIKey is NBVPJVAJCGKJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-10(6-2)9(3)15-12-8-14-7-11(13-4)16-12/h7-10H,5-6H2,1-4H3,(H2,13,15,16).
What are the key properties of 2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine?
2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 80846039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).