2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine

C10H18N4 — CID 78999111

IUPAC2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine
SMILESCC(C)C(C)CNc1cncc(N)n1
InChIInChI=1S/C10H18N4/c1-7(2)8(3)4-13-10-6-12-5-9(11)14-10/h5-8H,4H2,1-3H3,(H3,11,13,14)
InChIKeyRLFOHDNZJNYFRS-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.76
Rot. Bonds4

About 2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine

2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine (PubChem CID 78999111) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine
PubChem CID78999111
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine
SMILESCC(C)C(C)CNc1cncc(N)n1
InChIInChI=1S/C10H18N4/c1-7(2)8(3)4-13-10-6-12-5-9(11)14-10/h5-8H,4H2,1-3H3,(H3,11,13,14)
InChIKeyRLFOHDNZJNYFRS-UHFFFAOYSA-N
XLogP1.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine (CID 78999111) is 2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine is CC(C)C(C)CNc1cncc(N)n1.
What is the InChIKey of 2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine?
The InChIKey is RLFOHDNZJNYFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(2)8(3)4-13-10-6-12-5-9(11)14-10/h5-8H,4H2,1-3H3,(H3,11,13,14).
What are the key properties of 2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine?
2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine is sourced from PubChem (CID 78999111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).