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

C14H17N3 — CID 57088906

IUPAC2-phenyl-2-pyrazin-2-ylbutan-1-amine
SMILESCCC(CN)(c1ccccc1)c1cnccn1
InChIInChI=1S/C14H17N3/c1-2-14(11-15,12-6-4-3-5-7-12)13-10-16-8-9-17-13/h3-10H,2,11,15H2,1H3
InChIKeyGUHJOICXUVOZMK-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.13
Rot. Bonds4

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

2-phenyl-2-pyrazin-2-ylbutan-1-amine (PubChem CID 57088906) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-phenyl-2-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-phenyl-2-pyrazin-2-ylbutan-1-amine
PubChem CID57088906
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-phenyl-2-pyrazin-2-ylbutan-1-amine
SMILESCCC(CN)(c1ccccc1)c1cnccn1
InChIInChI=1S/C14H17N3/c1-2-14(11-15,12-6-4-3-5-7-12)13-10-16-8-9-17-13/h3-10H,2,11,15H2,1H3
InChIKeyGUHJOICXUVOZMK-UHFFFAOYSA-N
XLogP2.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyrazin-2-ylbutan-1-amine?
The IUPAC name of 2-phenyl-2-pyrazin-2-ylbutan-1-amine (CID 57088906) is 2-phenyl-2-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for 2-phenyl-2-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for 2-phenyl-2-pyrazin-2-ylbutan-1-amine is CCC(CN)(c1ccccc1)c1cnccn1.
What is the InChIKey of 2-phenyl-2-pyrazin-2-ylbutan-1-amine?
The InChIKey is GUHJOICXUVOZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-14(11-15,12-6-4-3-5-7-12)13-10-16-8-9-17-13/h3-10H,2,11,15H2,1H3.
What are the key properties of 2-phenyl-2-pyrazin-2-ylbutan-1-amine?
2-phenyl-2-pyrazin-2-ylbutan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 57088906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).