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

C12H23N3 — CID 142180476

IUPACethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine
SMILESC=C/C=C(\N=C/C)N1CCNCC1.CC
InChIInChI=1S/C10H17N3.C2H6/c1-3-5-10(12-4-2)13-8-6-11-7-9-13;1-2/h3-5,11H,1,6-9H2,2H3;1-2H3/b10-5+,12-4-;
InChIKeyRAWZFSNCKKPQPR-XKYRMZKKSA-N
MW209.34 g/mol
LogP2.04
Rot. Bonds3

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

ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine (PubChem CID 142180476) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound Nameethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine
PubChem CID142180476
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Nameethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine
SMILESC=C/C=C(\N=C/C)N1CCNCC1.CC
InChIInChI=1S/C10H17N3.C2H6/c1-3-5-10(12-4-2)13-8-6-11-7-9-13;1-2/h3-5,11H,1,6-9H2,2H3;1-2H3/b10-5+,12-4-;
InChIKeyRAWZFSNCKKPQPR-XKYRMZKKSA-N
XLogP2.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.04
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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Related Compounds

2-(4-Methylpiperazin-1-yl)-1,2-dihydropyrimidine
CID 22328744
N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
CID 68309739
N-(1-piperazin-1-ylethenyl)ethanimine
CID 68377765
(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine
CID 70259653
(Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
CID 88931237
N-(1-piperazin-1-ylprop-1-enyl)methanimine
CID 91155840
N-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine
CID 123221318
N-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine
CID 134406298
1-piperazin-2-yl-2H-pyrimidine
CID 140095537
Ethane;2-piperazin-1-yl-1,2-dihydropyrimidine
CID 141777158
2-Piperazin-1-yl-1,2-dihydropyrimidine
CID 141777159
(Z,Z)-2-methyl-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine;propane
CID 141979646

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine?
The IUPAC name of ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine (CID 142180476) is ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine.
What is the SMILES notation for ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine?
The canonical SMILES for ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine is C=C/C=C(\N=C/C)N1CCNCC1.CC.
What is the InChIKey of ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine?
The InChIKey is RAWZFSNCKKPQPR-XKYRMZKKSA-N. The full InChI is InChI=1S/C10H17N3.C2H6/c1-3-5-10(12-4-2)13-8-6-11-7-9-13;1-2/h3-5,11H,1,6-9H2,2H3;1-2H3/b10-5+,12-4-;.
What are the key properties of ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine?
ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine has a molecular weight of 209.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 142180476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).