(3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine

C15H30N4 — CID 90435964

IUPAC(3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine
SMILESC=C(N)/C=C(\C)N1CCN(CCN(CC)CC)CC1
InChIInChI=1S/C15H30N4/c1-5-17(6-2)7-8-18-9-11-19(12-10-18)15(4)13-14(3)16/h13H,3,5-12,16H2,1-2,4H3/b15-13+
InChIKeyWSERZPPAXIRHRH-FYWRMAATSA-N
MW266.43 g/mol
LogP1.32
Rot. Bonds7

About (3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine

(3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine (PubChem CID 90435964) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is (3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine
PubChem CID90435964
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name(3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine
SMILESC=C(N)/C=C(\C)N1CCN(CCN(CC)CC)CC1
InChIInChI=1S/C15H30N4/c1-5-17(6-2)7-8-18-9-11-19(12-10-18)15(4)13-14(3)16/h13H,3,5-12,16H2,1-2,4H3/b15-13+
InChIKeyWSERZPPAXIRHRH-FYWRMAATSA-N
XLogP1.32
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine 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 (3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine?
The IUPAC name of (3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine (CID 90435964) is (3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine?
The canonical SMILES for (3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine is C=C(N)/C=C(\C)N1CCN(CCN(CC)CC)CC1.
What is the InChIKey of (3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine?
The InChIKey is WSERZPPAXIRHRH-FYWRMAATSA-N. The full InChI is InChI=1S/C15H30N4/c1-5-17(6-2)7-8-18-9-11-19(12-10-18)15(4)13-14(3)16/h13H,3,5-12,16H2,1-2,4H3/b15-13+.
What are the key properties of (3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine?
(3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine has a molecular weight of 266.43 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine is sourced from PubChem (CID 90435964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).