6-(3,3-dimethylbutyl)pyrazin-2-amine

C10H17N3 — CID 59238418

IUPAC6-(3,3-dimethylbutyl)pyrazin-2-amine
SMILESCC(C)(C)CCc1cncc(N)n1
InChIInChI=1S/C10H17N3/c1-10(2,3)5-4-8-6-12-7-9(11)13-8/h6-7H,4-5H2,1-3H3,(H2,11,13)
InChIKeyPEANAOQZTARWPM-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.04
Rot. Bonds2

About 6-(3,3-dimethylbutyl)pyrazin-2-amine

6-(3,3-dimethylbutyl)pyrazin-2-amine (PubChem CID 59238418) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 6-(3,3-dimethylbutyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,3-dimethylbutyl)pyrazin-2-amine
PubChem CID59238418
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name6-(3,3-dimethylbutyl)pyrazin-2-amine
SMILESCC(C)(C)CCc1cncc(N)n1
InChIInChI=1S/C10H17N3/c1-10(2,3)5-4-8-6-12-7-9(11)13-8/h6-7H,4-5H2,1-3H3,(H2,11,13)
InChIKeyPEANAOQZTARWPM-UHFFFAOYSA-N
XLogP2.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutyl)pyrazin-2-amine?
The IUPAC name of 6-(3,3-dimethylbutyl)pyrazin-2-amine (CID 59238418) is 6-(3,3-dimethylbutyl)pyrazin-2-amine.
What is the SMILES notation for 6-(3,3-dimethylbutyl)pyrazin-2-amine?
The canonical SMILES for 6-(3,3-dimethylbutyl)pyrazin-2-amine is CC(C)(C)CCc1cncc(N)n1.
What is the InChIKey of 6-(3,3-dimethylbutyl)pyrazin-2-amine?
The InChIKey is PEANAOQZTARWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,3)5-4-8-6-12-7-9(11)13-8/h6-7H,4-5H2,1-3H3,(H2,11,13).
What are the key properties of 6-(3,3-dimethylbutyl)pyrazin-2-amine?
6-(3,3-dimethylbutyl)pyrazin-2-amine has a molecular weight of 179.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutyl)pyrazin-2-amine is sourced from PubChem (CID 59238418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).