(1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine

C13H24N4 — CID 87688573

IUPAC(1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C=C\C(=C/N)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H24N4/c1-11(2)16-6-8-17(9-7-16)13(10-14)5-4-12(3)15/h4-5,10-11H,3,6-9,14-15H2,1-2H3/b5-4-,13-10+
InChIKeyGPAFXDNCADTOPJ-GNPUEAEQSA-N
MW236.36 g/mol
LogP0.84
Rot. Bonds4

About (1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine

(1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine (PubChem CID 87688573) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is (1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine.

Molecular Properties

Compound Name(1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine
PubChem CID87688573
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name(1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C=C\C(=C/N)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H24N4/c1-11(2)16-6-8-17(9-7-16)13(10-14)5-4-12(3)15/h4-5,10-11H,3,6-9,14-15H2,1-2H3/b5-4-,13-10+
InChIKeyGPAFXDNCADTOPJ-GNPUEAEQSA-N
XLogP0.84
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.84
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 (1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine?
The IUPAC name of (1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine (CID 87688573) is (1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine.
What is the SMILES notation for (1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine?
The canonical SMILES for (1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine is C=C(N)/C=C\C(=C/N)N1CCN(C(C)C)CC1.
What is the InChIKey of (1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine?
The InChIKey is GPAFXDNCADTOPJ-GNPUEAEQSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)16-6-8-17(9-7-16)13(10-14)5-4-12(3)15/h4-5,10-11H,3,6-9,14-15H2,1-2H3/b5-4-,13-10+.
What are the key properties of (1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine?
(1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine has a molecular weight of 236.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine is sourced from PubChem (CID 87688573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).