(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine

C10H18N4 — CID 134406633

IUPAC(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine
SMILESC=N/C(C)=C\C=C(/N)N1CCNCC1
InChIInChI=1S/C10H18N4/c1-9(12-2)3-4-10(11)14-7-5-13-6-8-14/h3-4,13H,2,5-8,11H2,1H3/b9-3-,10-4+
InChIKeyHQOSRQQYUBYZTE-INWPEIIHSA-N
MW194.28 g/mol
LogP0.30
Rot. Bonds3

About (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine

(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine (PubChem CID 134406633) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine
PubChem CID134406633
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine
SMILESC=N/C(C)=C\C=C(/N)N1CCNCC1
InChIInChI=1S/C10H18N4/c1-9(12-2)3-4-10(11)14-7-5-13-6-8-14/h3-4,13H,2,5-8,11H2,1H3/b9-3-,10-4+
InChIKeyHQOSRQQYUBYZTE-INWPEIIHSA-N
XLogP0.30
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine 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

N-[(1Z,3E)-4-fluoro-1-piperazin-1-ylpenta-1,3-dienyl]methanimine
CID 144179587
1-(1-piperazin-1-ylethyl)-2H-pyridin-4-amine
CID 19068068
(1Z,3E)-4-(methylideneamino)-4-piperazin-1-ylbuta-1,3-diene-1,3-diamine
CID 89275674
[2-(4-Ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine
CID 123807778
N-[(E)-2-(4-ethyl-piperazin-1-yl)-penta-2,4-dien-(Z)-ylidene]-methanediamine
CID 131730710
N-[(2Z,4Z)-1-piperazin-1-ylhexa-2,4-dien-2-yl]methanimine
CID 132035455
(1Z,3E)-1-(methylideneamino)-N-(2-methylpropyl)-3-piperazin-1-ylpenta-1,3-dien-1-amine
CID 132058752
N-[(1Z,3E)-3-piperazin-1-ylpenta-1,3-dienyl]methanimine
CID 132151580
(1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
CID 134406066
(1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine
CID 134406107
(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine
CID 134406127
(1E,3Z)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine
CID 134406146

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine (CID 134406633) is (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine is C=N/C(C)=C\C=C(/N)N1CCNCC1.
What is the InChIKey of (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine?
The InChIKey is HQOSRQQYUBYZTE-INWPEIIHSA-N. The full InChI is InChI=1S/C10H18N4/c1-9(12-2)3-4-10(11)14-7-5-13-6-8-14/h3-4,13H,2,5-8,11H2,1H3/b9-3-,10-4+.
What are the key properties of (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine?
(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine has a molecular weight of 194.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine is sourced from PubChem (CID 134406633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).