(1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine

C11H20N4 — CID 143497005

IUPAC(1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine
SMILESC/C=N\C(=C/C=C/N)N1CCN(C)CC1
InChIInChI=1S/C11H20N4/c1-3-13-11(5-4-6-12)15-9-7-14(2)8-10-15/h3-6H,7-10,12H2,1-2H3/b6-4+,11-5+,13-3-
InChIKeyYEKPHLWWRZDUOV-XYDBIFOWSA-N
MW208.31 g/mol
LogP0.64
Rot. Bonds3

About (1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine

(1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine (PubChem CID 143497005) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is (1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine
PubChem CID143497005
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name(1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine
SMILESC/C=N\C(=C/C=C/N)N1CCN(C)CC1
InChIInChI=1S/C11H20N4/c1-3-13-11(5-4-6-12)15-9-7-14(2)8-10-15/h3-6H,7-10,12H2,1-2H3/b6-4+,11-5+,13-3-
InChIKeyYEKPHLWWRZDUOV-XYDBIFOWSA-N
XLogP0.64
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', '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-piperazin-2-yl-2H-pyrimidine
CID 140095537
Ethane;2-piperazin-1-yl-1,2-dihydropyrimidine
CID 141777158
2-Piperazin-1-yl-1,2-dihydropyrimidine
CID 141777159
ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine
CID 142180476
(Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine
CID 143325176
ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine
CID 143703268
(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]prop-2-en-1-imine
CID 143834893
ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine
CID 143872817

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine (CID 143497005) is (1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine is C/C=N\C(=C/C=C/N)N1CCN(C)CC1.
What is the InChIKey of (1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine?
The InChIKey is YEKPHLWWRZDUOV-XYDBIFOWSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-13-11(5-4-6-12)15-9-7-14(2)8-10-15/h3-6H,7-10,12H2,1-2H3/b6-4+,11-5+,13-3-.
What are the key properties of (1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine?
(1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine has a molecular weight of 208.31 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-4-[(Z)-ethylideneamino]-4-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine is sourced from PubChem (CID 143497005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).