(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine

C10H17N3 — CID 142180477

IUPAC(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine
SMILESC=C/C=C(\N=C/C)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-3-5-10(12-4-2)13-8-6-11-7-9-13/h3-5,11H,1,6-9H2,2H3/b10-5+,12-4-
InChIKeyDPWPVFHJACBULT-VTHRGNRPSA-N
MW179.27 g/mol
LogP1.01
Rot. Bonds3

About (Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine

(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine (PubChem CID 142180477) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine
PubChem CID142180477
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine
SMILESC=C/C=C(\N=C/C)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-3-5-10(12-4-2)13-8-6-11-7-9-13/h3-5,11H,1,6-9H2,2H3/b10-5+,12-4-
InChIKeyDPWPVFHJACBULT-VTHRGNRPSA-N
XLogP1.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine?
The IUPAC name of (Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine (CID 142180477) is (Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine.
What is the SMILES notation for (Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine?
The canonical SMILES for (Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine is C=C/C=C(\N=C/C)N1CCNCC1.
What is the InChIKey of (Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine?
The InChIKey is DPWPVFHJACBULT-VTHRGNRPSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-5-10(12-4-2)13-8-6-11-7-9-13/h3-5,11H,1,6-9H2,2H3/b10-5+,12-4-.
What are the key properties of (Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine?
(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine has a molecular weight of 179.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 142180477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).