(Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine

C10H17N3 — CID 88931237

IUPAC(Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
SMILESC=C/C=N\C(=C)N1CCN(C)CC1
InChIInChI=1S/C10H17N3/c1-4-5-11-10(2)13-8-6-12(3)7-9-13/h4-5H,1-2,6-9H2,3H3/b11-5-
InChIKeyBROVWYAMKQUPOI-WZUFQYTHSA-N
MW179.27 g/mol
LogP0.96
Rot. Bonds3

About (Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine

(Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine (PubChem CID 88931237) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
PubChem CID88931237
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
SMILESC=C/C=N\C(=C)N1CCN(C)CC1
InChIInChI=1S/C10H17N3/c1-4-5-11-10(2)13-8-6-12(3)7-9-13/h4-5H,1-2,6-9H2,3H3/b11-5-
InChIKeyBROVWYAMKQUPOI-WZUFQYTHSA-N
XLogP0.96
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine 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

lithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine
CID 134970813
N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
CID 68309739
1,1-diethyl-2H-pyrimidin-1-ium
CID 91357247
N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
CID 123244077
ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine
CID 142180476
ethane;(2E)-1-ethyl-2-ethylidenepyrimidine
CID 142838378
ethane;2-(4-methylpiperazin-1-yl)-2H-azepine
CID 143001906
(E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine
CID 143210270
(Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine
CID 143325176
(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
(Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine
CID 143834887

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine?
The IUPAC name of (Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine (CID 88931237) is (Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine.
What is the SMILES notation for (Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine?
The canonical SMILES for (Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine is C=C/C=N\C(=C)N1CCN(C)CC1.
What is the InChIKey of (Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine?
The InChIKey is BROVWYAMKQUPOI-WZUFQYTHSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-5-11-10(2)13-8-6-12(3)7-9-13/h4-5H,1-2,6-9H2,3H3/b11-5-.
What are the key properties of (Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine?
(Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine has a molecular weight of 179.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine is sourced from PubChem (CID 88931237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).