(E)-N,N'-diethylbut-2-ene-1,4-diamine

C8H18N2 — CID 5369081

IUPAC(E)-N,N'-diethylbut-2-ene-1,4-diamine
SMILESCCNC/C=C/CNCC
InChIInChI=1S/C8H18N2/c1-3-9-7-5-6-8-10-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyYWWSWEIXJXYQJB-AATRIKPKSA-N
MW142.25 g/mol
LogP0.76
Rot. Bonds6

About (E)-N,N'-diethylbut-2-ene-1,4-diamine

(E)-N,N'-diethylbut-2-ene-1,4-diamine (PubChem CID 5369081) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (E)-N,N'-diethylbut-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N,N'-diethylbut-2-ene-1,4-diamine
PubChem CID5369081
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(E)-N,N'-diethylbut-2-ene-1,4-diamine
SMILESCCNC/C=C/CNCC
InChIInChI=1S/C8H18N2/c1-3-9-7-5-6-8-10-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyYWWSWEIXJXYQJB-AATRIKPKSA-N
XLogP0.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N,N'-diethylbut-2-ene-1,4-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 (E)-N,N'-diethylbut-2-ene-1,4-diamine?
The IUPAC name of (E)-N,N'-diethylbut-2-ene-1,4-diamine (CID 5369081) is (E)-N,N'-diethylbut-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N,N'-diethylbut-2-ene-1,4-diamine?
The canonical SMILES for (E)-N,N'-diethylbut-2-ene-1,4-diamine is CCNC/C=C/CNCC.
What is the InChIKey of (E)-N,N'-diethylbut-2-ene-1,4-diamine?
The InChIKey is YWWSWEIXJXYQJB-AATRIKPKSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-9-7-5-6-8-10-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+.
What are the key properties of (E)-N,N'-diethylbut-2-ene-1,4-diamine?
(E)-N,N'-diethylbut-2-ene-1,4-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-diethylbut-2-ene-1,4-diamine is sourced from PubChem (CID 5369081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).