N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine

C11H19N3 — CID 144895565

IUPACN-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C/C)N1CCN(C)CC1
InChIInChI=1S/C11H19N3/c1-4-5-6-11(12-2)14-9-7-13(3)8-10-14/h4-6H,2,7-10H2,1,3H3/b5-4-,11-6+
InChIKeyWJVNKGDBVJDJGG-UMEJXRAUSA-N
MW193.29 g/mol
LogP1.35
Rot. Bonds3

About N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine

N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine (PubChem CID 144895565) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine
PubChem CID144895565
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C/C)N1CCN(C)CC1
InChIInChI=1S/C11H19N3/c1-4-5-6-11(12-2)14-9-7-13(3)8-10-14/h4-6H,2,7-10H2,1,3H3/b5-4-,11-6+
InChIKeyWJVNKGDBVJDJGG-UMEJXRAUSA-N
XLogP1.35
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine 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

1-(3-fluoro-1-methylidene-2H-pyridin-1-ium-6-yl)-4-methylpiperazine
CID 123527232
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
N-(1-ethyl-2H-pyridin-6-yl)methanimine
CID 68517921
(Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
CID 88931237
N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
CID 123244077
N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine
CID 129059916
(1E)-N,N-dimethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine
CID 134424054
1-methyl-4-(1-methyl-2H-pyridin-6-yl)piperazine
CID 142128658
N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine
CID 142264893
ethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
CID 142345667
N-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane
CID 143433371

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine (CID 144895565) is N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine is C=N/C(=C\C=C/C)N1CCN(C)CC1.
What is the InChIKey of N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine?
The InChIKey is WJVNKGDBVJDJGG-UMEJXRAUSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-5-6-11(12-2)14-9-7-13(3)8-10-14/h4-6H,2,7-10H2,1,3H3/b5-4-,11-6+.
What are the key properties of N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine?
N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine has a molecular weight of 193.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 144895565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).