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

C10H17N3 — CID 89109772

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

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

(1Z,3Z)-5-piperazin-1-ylhexa-1,3,5-trien-1-amine (PubChem CID 89109772) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (1Z,3Z)-5-piperazin-1-ylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-piperazin-1-ylhexa-1,3,5-trien-1-amine
PubChem CID89109772
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(1Z,3Z)-5-piperazin-1-ylhexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C=C/N)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-10(4-2-3-5-11)13-8-6-12-7-9-13/h2-5,12H,1,6-9,11H2/b4-2-,5-3-
InChIKeyTWOLYPHCCHWIPR-JVLMNHKTSA-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 (1Z,3Z)-5-piperazin-1-ylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-5-piperazin-1-ylhexa-1,3,5-trien-1-amine (CID 89109772) is (1Z,3Z)-5-piperazin-1-ylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-piperazin-1-ylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-5-piperazin-1-ylhexa-1,3,5-trien-1-amine is C=C(/C=C\C=C/N)N1CCNCC1.
What is the InChIKey of (1Z,3Z)-5-piperazin-1-ylhexa-1,3,5-trien-1-amine?
The InChIKey is TWOLYPHCCHWIPR-JVLMNHKTSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(4-2-3-5-11)13-8-6-12-7-9-13/h2-5,12H,1,6-9,11H2/b4-2-,5-3-.
What are the key properties of (1Z,3Z)-5-piperazin-1-ylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-5-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 (1Z,3Z)-5-piperazin-1-ylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89109772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).