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

C10H18N4 — CID 163573336

IUPAC(Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine
SMILES[H]/N=C/C=C\N=C(/C)N1CCN(C)CC1
InChIInChI=1S/C10H18N4/c1-10(12-5-3-4-11)14-8-6-13(2)7-9-14/h3-5,11H,6-9H2,1-2H3/b5-3-,11-4+,12-10+
InChIKeyGBHCRJKUQLGHQE-JJNYULBRSA-N
MW194.28 g/mol
LogP0.82
Rot. Bonds2

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

(Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine (PubChem CID 163573336) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine
PubChem CID163573336
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine
SMILES[H]/N=C/C=C\N=C(/C)N1CCN(C)CC1
InChIInChI=1S/C10H18N4/c1-10(12-5-3-4-11)14-8-6-13(2)7-9-14/h3-5,11H,6-9H2,1-2H3/b5-3-,11-4+,12-10+
InChIKeyGBHCRJKUQLGHQE-JJNYULBRSA-N
XLogP0.82
TPSA42.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
(Z)-2-(1-piperazin-1-ylprop-2-enylideneamino)ethenamine
CID 69914758
1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 70293948
N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine
CID 89117774
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
CID 89117793
(Z)-4-ethenylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 89881701
1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine
CID 90250320
(Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine
CID 135135368
N'-[(Z)-3-iminoprop-1-enyl]-N,N-dipropylethanimidamide
CID 141796318
1-piperazin-1-yl-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 143698770
N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene
CID 143703394
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine;ethane
CID 144038774

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine?
The IUPAC name of (Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine (CID 163573336) is (Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine?
The canonical SMILES for (Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine is [H]/N=C/C=C\N=C(/C)N1CCN(C)CC1.
What is the InChIKey of (Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine?
The InChIKey is GBHCRJKUQLGHQE-JJNYULBRSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(12-5-3-4-11)14-8-6-13(2)7-9-14/h3-5,11H,6-9H2,1-2H3/b5-3-,11-4+,12-10+.
What are the key properties of (Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine?
(Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine has a molecular weight of 194.28 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine is sourced from PubChem (CID 163573336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).