5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine

C16H24N4 — CID 121358181

IUPAC5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine
SMILESC=C/C(=C\C=C/CC)C1CCCN1C1=CNCC(N)=N1
InChIInChI=1S/C16H24N4/c1-3-5-6-8-13(4-2)14-9-7-10-20(14)16-12-18-11-15(17)19-16/h4-6,8,12,14,18H,2-3,7,9-11H2,1H3,(H2,17,19)/b6-5-,13-8+
InChIKeyFYNLUIDJWMLVJT-AVHOOITRSA-N
MW272.40 g/mol
LogP2.29
Rot. Bonds5

About 5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine

5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine (PubChem CID 121358181) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine.

Molecular Properties

Compound Name5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine
PubChem CID121358181
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine
SMILESC=C/C(=C\C=C/CC)C1CCCN1C1=CNCC(N)=N1
InChIInChI=1S/C16H24N4/c1-3-5-6-8-13(4-2)14-9-7-10-20(14)16-12-18-11-15(17)19-16/h4-6,8,12,14,18H,2-3,7,9-11H2,1H3,(H2,17,19)/b6-5-,13-8+
InChIKeyFYNLUIDJWMLVJT-AVHOOITRSA-N
XLogP2.29
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine?
The IUPAC name of 5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine (CID 121358181) is 5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine.
What is the SMILES notation for 5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine?
The canonical SMILES for 5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine is C=C/C(=C\C=C/CC)C1CCCN1C1=CNCC(N)=N1.
What is the InChIKey of 5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine?
The InChIKey is FYNLUIDJWMLVJT-AVHOOITRSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-5-6-8-13(4-2)14-9-7-10-20(14)16-12-18-11-15(17)19-16/h4-6,8,12,14,18H,2-3,7,9-11H2,1H3,(H2,17,19)/b6-5-,13-8+.
What are the key properties of 5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine?
5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine has a molecular weight of 272.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine is sourced from PubChem (CID 121358181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).