(1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine

C11H20N4 — CID 88564313

IUPAC(1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C=C\C(=C/N)N1CCN(C)CC1
InChIInChI=1S/C11H20N4/c1-10(13)3-4-11(9-12)15-7-5-14(2)6-8-15/h3-4,9H,1,5-8,12-13H2,2H3/b4-3-,11-9+
InChIKeyRANDWWFUEZFTSN-XOXVZCPUSA-N
MW208.31 g/mol
LogP0.06
Rot. Bonds3

About (1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine

(1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine (PubChem CID 88564313) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is (1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine.

Molecular Properties

Compound Name(1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine
PubChem CID88564313
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name(1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C=C\C(=C/N)N1CCN(C)CC1
InChIInChI=1S/C11H20N4/c1-10(13)3-4-11(9-12)15-7-5-14(2)6-8-15/h3-4,9H,1,5-8,12-13H2,2H3/b4-3-,11-9+
InChIKeyRANDWWFUEZFTSN-XOXVZCPUSA-N
XLogP0.06
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine?
The IUPAC name of (1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine (CID 88564313) is (1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine.
What is the SMILES notation for (1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine?
The canonical SMILES for (1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine is C=C(N)/C=C\C(=C/N)N1CCN(C)CC1.
What is the InChIKey of (1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine?
The InChIKey is RANDWWFUEZFTSN-XOXVZCPUSA-N. The full InChI is InChI=1S/C11H20N4/c1-10(13)3-4-11(9-12)15-7-5-14(2)6-8-15/h3-4,9H,1,5-8,12-13H2,2H3/b4-3-,11-9+.
What are the key properties of (1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine?
(1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine has a molecular weight of 208.31 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine is sourced from PubChem (CID 88564313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).