(Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine

C10H18N4 — CID 176564513

IUPAC(Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine
SMILESC=N/C=C\C=N/CN1CCN(C)CC1
InChIInChI=1S/C10H18N4/c1-11-4-3-5-12-10-14-8-6-13(2)7-9-14/h3-5H,1,6-10H2,2H3/b4-3-,12-5-
InChIKeyUBMVYIJSPBRCEP-HVSXSXIDSA-N
MW194.28 g/mol
LogP0.48
Rot. Bonds4

About (Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine

(Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine (PubChem CID 176564513) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine
PubChem CID176564513
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine
SMILESC=N/C=C\C=N/CN1CCN(C)CC1
InChIInChI=1S/C10H18N4/c1-11-4-3-5-12-10-14-8-6-13(2)7-9-14/h3-5H,1,6-10H2,2H3/b4-3-,12-5-
InChIKeyUBMVYIJSPBRCEP-HVSXSXIDSA-N
XLogP0.48
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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
(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
1,1-diethyl-2H-pyrimidin-1-ium
CID 91357247
N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
CID 123244077
1,2-diethyl-2H-pyrimidine
CID 134575618
Ethane;2-piperazin-1-yl-1,2-dihydropyrimidine
CID 141777158
ethane;(2E)-1-ethyl-2-ethylidenepyrimidine
CID 142838378
(Z)-N-[(Z)-2-(methylideneamino)-1-(4-methylpiperazin-1-yl)ethenyl]ethanimine
CID 143250349
(1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine
CID 143497005
N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143795994

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine?
The IUPAC name of (Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine (CID 176564513) is (Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine.
What is the SMILES notation for (Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine?
The canonical SMILES for (Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine is C=N/C=C\C=N/CN1CCN(C)CC1.
What is the InChIKey of (Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine?
The InChIKey is UBMVYIJSPBRCEP-HVSXSXIDSA-N. The full InChI is InChI=1S/C10H18N4/c1-11-4-3-5-12-10-14-8-6-13(2)7-9-14/h3-5H,1,6-10H2,2H3/b4-3-,12-5-.
What are the key properties of (Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine?
(Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine has a molecular weight of 194.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine is sourced from PubChem (CID 176564513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).