(1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine

C10H17N3 — CID 89109784

IUPAC(1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C=C(/N)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-2-3-4-5-10(11)13-8-6-12-7-9-13/h2-5,12H,1,6-9,11H2/b4-3-,10-5+
InChIKeyISFPVUAULINPJW-DXWLQBKVSA-N
MW179.27 g/mol
LogP0.43
Rot. Bonds3

About (1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine

(1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine (PubChem CID 89109784) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine
PubChem CID89109784
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C=C(/N)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-2-3-4-5-10(11)13-8-6-12-7-9-13/h2-5,12H,1,6-9,11H2/b4-3-,10-5+
InChIKeyISFPVUAULINPJW-DXWLQBKVSA-N
XLogP0.43
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine (CID 89109784) is (1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine is C=C/C=C\C=C(/N)N1CCNCC1.
What is the InChIKey of (1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine?
The InChIKey is ISFPVUAULINPJW-DXWLQBKVSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-3-4-5-10(11)13-8-6-12-7-9-13/h2-5,12H,1,6-9,11H2/b4-3-,10-5+.
What are the key properties of (1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine?
(1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine has a molecular weight of 179.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89109784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).