N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine

C10H17N3 — CID 89117793

IUPACN-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
SMILESC=C/C=C\N=C(/C)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-3-4-5-12-10(2)13-8-6-11-7-9-13/h3-5,11H,1,6-9H2,2H3/b5-4-,12-10+
InChIKeyQXYVPHLPOYXZDC-KYTHIUCFSA-N
MW179.27 g/mol
LogP1.01
Rot. Bonds2

About N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine

N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine (PubChem CID 89117793) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
PubChem CID89117793
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
SMILESC=C/C=C\N=C(/C)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-3-4-5-12-10(2)13-8-6-11-7-9-13/h3-5,11H,1,6-9H2,2H3/b5-4-,12-10+
InChIKeyQXYVPHLPOYXZDC-KYTHIUCFSA-N
XLogP1.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine
CID 142349174
(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
(Z)-2-(1-piperazin-1-ylprop-2-enylideneamino)ethenamine
CID 69914758
N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine
CID 89117774
1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine
CID 90250320
1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine
CID 118489766
N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine
CID 123357654
N-methyl-1-prop-1-en-2-ylpiperazin-2-imine
CID 123565634
1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine
CID 123586617
N-ethenyl-1-piperazin-1-ylethanimine
CID 123747568
N-ethenyl-1-piperazin-1-ylpropan-1-imine
CID 123885929
4-methyl-N-[(Z)-prop-1-enyl]-3,5-dihydro-2H-pyrazin-6-amine
CID 126687745

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine (CID 89117793) is N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine is C=C/C=C\N=C(/C)N1CCNCC1.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine?
The InChIKey is QXYVPHLPOYXZDC-KYTHIUCFSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-4-5-12-10(2)13-8-6-11-7-9-13/h3-5,11H,1,6-9H2,2H3/b5-4-,12-10+.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine?
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine has a molecular weight of 179.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine is sourced from PubChem (CID 89117793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).