ethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine

C13H27N3 — CID 145197611

IUPACethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine
SMILESC1CNCCN1.C=C(C)/C=N/C(=C)C.CC
InChIInChI=1S/C7H11N.C4H10N2.C2H6/c1-6(2)5-8-7(3)4;1-2-6-4-3-5-1;1-2/h5H,1,3H2,2,4H3;5-6H,1-4H2;1-2H3/b8-5+;;
InChIKeyUZEXCFYWHLZXAQ-RMZRELHQSA-N
MW225.38 g/mol
LogP2.37
Rot. Bonds2

About ethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine

ethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine (PubChem CID 145197611) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine.

Molecular Properties

Compound Nameethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine
PubChem CID145197611
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Nameethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine
SMILESC1CNCCN1.C=C(C)/C=N/C(=C)C.CC
InChIInChI=1S/C7H11N.C4H10N2.C2H6/c1-6(2)5-8-7(3)4;1-2-6-4-3-5-1;1-2/h5H,1,3H2,2,4H3;5-6H,1-4H2;1-2H3/b8-5+;;
InChIKeyUZEXCFYWHLZXAQ-RMZRELHQSA-N
XLogP2.37
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
CID 124033166
(E)-2-methyl-3-piperazin-1-yl-4-prop-1-en-2-yliminobut-2-enenitrile
CID 129268215
2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine
CID 134179661
(E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine
CID 134405853
(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406060
(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406286
N'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine
CID 134406303
N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine
CID 134406371
2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 134406723
N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylprop-2-en-1-imine
CID 134406734
ethane;(Z)-2-(2-piperazin-1-ylprop-2-enylideneamino)ethenamine
CID 144106102
ethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
CID 144622099

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine?
The IUPAC name of ethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine (CID 145197611) is ethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine.
What is the SMILES notation for ethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine?
The canonical SMILES for ethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine is C1CNCCN1.C=C(C)/C=N/C(=C)C.CC.
What is the InChIKey of ethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine?
The InChIKey is UZEXCFYWHLZXAQ-RMZRELHQSA-N. The full InChI is InChI=1S/C7H11N.C4H10N2.C2H6/c1-6(2)5-8-7(3)4;1-2-6-4-3-5-1;1-2/h5H,1,3H2,2,4H3;5-6H,1-4H2;1-2H3/b8-5+;;.
What are the key properties of ethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine?
ethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine has a molecular weight of 225.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine is sourced from PubChem (CID 145197611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).