(2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine

C12H25N3 — CID 134406306

IUPAC(2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine
SMILESCCNCCNC/C(=C/C=C(/C)N)CC
InChIInChI=1S/C12H25N3/c1-4-12(7-6-11(3)13)10-15-9-8-14-5-2/h6-7,14-15H,4-5,8-10,13H2,1-3H3/b11-6-,12-7+
InChIKeyUKIKFKKCAGHPJV-TWTKIJFOSA-N
MW211.35 g/mol
LogP1.38
Rot. Bonds8

About (2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine

(2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine (PubChem CID 134406306) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is (2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine.

Molecular Properties

Compound Name(2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine
PubChem CID134406306
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name(2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine
SMILESCCNCCNC/C(=C/C=C(/C)N)CC
InChIInChI=1S/C12H25N3/c1-4-12(7-6-11(3)13)10-15-9-8-14-5-2/h6-7,14-15H,4-5,8-10,13H2,1-3H3/b11-6-,12-7+
InChIKeyUKIKFKKCAGHPJV-TWTKIJFOSA-N
XLogP1.38
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-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 (2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine?
The IUPAC name of (2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine (CID 134406306) is (2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine.
What is the SMILES notation for (2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine?
The canonical SMILES for (2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine is CCNCCNC/C(=C/C=C(/C)N)CC.
What is the InChIKey of (2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine?
The InChIKey is UKIKFKKCAGHPJV-TWTKIJFOSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-12(7-6-11(3)13)10-15-9-8-14-5-2/h6-7,14-15H,4-5,8-10,13H2,1-3H3/b11-6-,12-7+.
What are the key properties of (2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine?
(2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine has a molecular weight of 211.35 g/mol, XLogP of 1.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine is sourced from PubChem (CID 134406306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).