(Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine

C11H20N4O — CID 176556421

IUPAC(Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine
SMILESC=N/C=C\C=N/CN1CCNCC1COC
InChIInChI=1S/C11H20N4O/c1-12-4-3-5-14-10-15-7-6-13-8-11(15)9-16-2/h3-5,11,13H,1,6-10H2,2H3/b4-3-,14-5-
InChIKeyKOECZGXFSKJQBL-KHCPYNEOSA-N
MW224.31 g/mol
LogP0.15
Rot. Bonds6

About (Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine

(Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine (PubChem CID 176556421) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine
PubChem CID176556421
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine
SMILESC=N/C=C\C=N/CN1CCNCC1COC
InChIInChI=1S/C11H20N4O/c1-12-4-3-5-14-10-15-7-6-13-8-11(15)9-16-2/h3-5,11,13H,1,6-10H2,2H3/b4-3-,14-5-
InChIKeyKOECZGXFSKJQBL-KHCPYNEOSA-N
XLogP0.15
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine with MolForge

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Related Compounds

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2-(methoxymethyl)-1-methylpiperazine;hydrochloride
CID 178190513
1-(2-fluoroethyl)-2-(2-methylpropyl)piperazine
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1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine
CID 65441884
2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine
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1-(2-methylbutyl)-2-(2-methylpropyl)piperazine
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2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine
CID 91108546
1-(2-methylpentyl)-2-(2-methylpropyl)piperazine
CID 64844865
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 64846052
tert-butyl-[[(2R)-1-ethylpiperazin-2-yl]methoxy]-dimethylsilane
CID 176897496
4-[2-[2-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 82245440

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine?
The IUPAC name of (Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine (CID 176556421) is (Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine.
What is the SMILES notation for (Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine?
The canonical SMILES for (Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine is C=N/C=C\C=N/CN1CCNCC1COC.
What is the InChIKey of (Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine?
The InChIKey is KOECZGXFSKJQBL-KHCPYNEOSA-N. The full InChI is InChI=1S/C11H20N4O/c1-12-4-3-5-14-10-15-7-6-13-8-11(15)9-16-2/h3-5,11,13H,1,6-10H2,2H3/b4-3-,14-5-.
What are the key properties of (Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine?
(Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine has a molecular weight of 224.31 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-N-[[2-(methoxymethyl)piperazin-1-yl]methyl]-N'-methylideneprop-2-ene-1,3-diimine is sourced from PubChem (CID 176556421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).