N-butyl-2-pyrazin-2-ylprop-2-en-1-imine

C11H15N3 — CID 139514767

IUPACN-butyl-2-pyrazin-2-ylprop-2-en-1-imine
SMILESC=C(/C=N/CCCC)c1cnccn1
InChIInChI=1S/C11H15N3/c1-3-4-5-12-8-10(2)11-9-13-6-7-14-11/h6-9H,2-5H2,1H3/b12-8+
InChIKeyLMKCJTKLEJORMJ-XYOKQWHBSA-N
MW189.26 g/mol
LogP2.36
Rot. Bonds5

About N-butyl-2-pyrazin-2-ylprop-2-en-1-imine

N-butyl-2-pyrazin-2-ylprop-2-en-1-imine (PubChem CID 139514767) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-butyl-2-pyrazin-2-ylprop-2-en-1-imine.

Molecular Properties

Compound NameN-butyl-2-pyrazin-2-ylprop-2-en-1-imine
PubChem CID139514767
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-butyl-2-pyrazin-2-ylprop-2-en-1-imine
SMILESC=C(/C=N/CCCC)c1cnccn1
InChIInChI=1S/C11H15N3/c1-3-4-5-12-8-10(2)11-9-13-6-7-14-11/h6-9H,2-5H2,1H3/b12-8+
InChIKeyLMKCJTKLEJORMJ-XYOKQWHBSA-N
XLogP2.36
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-pyrazin-2-ylprop-2-en-1-imine?
The IUPAC name of N-butyl-2-pyrazin-2-ylprop-2-en-1-imine (CID 139514767) is N-butyl-2-pyrazin-2-ylprop-2-en-1-imine.
What is the SMILES notation for N-butyl-2-pyrazin-2-ylprop-2-en-1-imine?
The canonical SMILES for N-butyl-2-pyrazin-2-ylprop-2-en-1-imine is C=C(/C=N/CCCC)c1cnccn1.
What is the InChIKey of N-butyl-2-pyrazin-2-ylprop-2-en-1-imine?
The InChIKey is LMKCJTKLEJORMJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-4-5-12-8-10(2)11-9-13-6-7-14-11/h6-9H,2-5H2,1H3/b12-8+.
What are the key properties of N-butyl-2-pyrazin-2-ylprop-2-en-1-imine?
N-butyl-2-pyrazin-2-ylprop-2-en-1-imine has a molecular weight of 189.26 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-pyrazin-2-ylprop-2-en-1-imine is sourced from PubChem (CID 139514767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).