2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine

C16H21N3 — CID 63968398

IUPAC2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(N)c1cnccn1
InChIInChI=1S/C16H21N3/c1-3-16(4-2,13-8-6-5-7-9-13)15(17)14-12-18-10-11-19-14/h5-12,15H,3-4,17H2,1-2H3
InChIKeyLVULEIUUKVXSMF-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.23
Rot. Bonds5

About 2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine

2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine (PubChem CID 63968398) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine
PubChem CID63968398
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(N)c1cnccn1
InChIInChI=1S/C16H21N3/c1-3-16(4-2,13-8-6-5-7-9-13)15(17)14-12-18-10-11-19-14/h5-12,15H,3-4,17H2,1-2H3
InChIKeyLVULEIUUKVXSMF-UHFFFAOYSA-N
XLogP3.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine?
The IUPAC name of 2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine (CID 63968398) is 2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine is CCC(CC)(c1ccccc1)C(N)c1cnccn1.
What is the InChIKey of 2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine?
The InChIKey is LVULEIUUKVXSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-16(4-2,13-8-6-5-7-9-13)15(17)14-12-18-10-11-19-14/h5-12,15H,3-4,17H2,1-2H3.
What are the key properties of 2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine?
2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 63968398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).