2,3-diethylbut-2-ene-1,4-diamine

C8H18N2 — CID 141333326

IUPAC2,3-diethylbut-2-ene-1,4-diamine
SMILESCCC(CN)=C(CC)CN
InChIInChI=1S/C8H18N2/c1-3-7(5-9)8(4-2)6-10/h3-6,9-10H2,1-2H3
InChIKeyARQUUMPHQMJQKS-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.02
Rot. Bonds4

About 2,3-diethylbut-2-ene-1,4-diamine

2,3-diethylbut-2-ene-1,4-diamine (PubChem CID 141333326) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2,3-diethylbut-2-ene-1,4-diamine.

Molecular Properties

Compound Name2,3-diethylbut-2-ene-1,4-diamine
PubChem CID141333326
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2,3-diethylbut-2-ene-1,4-diamine
SMILESCCC(CN)=C(CC)CN
InChIInChI=1S/C8H18N2/c1-3-7(5-9)8(4-2)6-10/h3-6,9-10H2,1-2H3
InChIKeyARQUUMPHQMJQKS-UHFFFAOYSA-N
XLogP1.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethylbut-2-ene-1,4-diamine?
The IUPAC name of 2,3-diethylbut-2-ene-1,4-diamine (CID 141333326) is 2,3-diethylbut-2-ene-1,4-diamine.
What is the SMILES notation for 2,3-diethylbut-2-ene-1,4-diamine?
The canonical SMILES for 2,3-diethylbut-2-ene-1,4-diamine is CCC(CN)=C(CC)CN.
What is the InChIKey of 2,3-diethylbut-2-ene-1,4-diamine?
The InChIKey is ARQUUMPHQMJQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-7(5-9)8(4-2)6-10/h3-6,9-10H2,1-2H3.
What are the key properties of 2,3-diethylbut-2-ene-1,4-diamine?
2,3-diethylbut-2-ene-1,4-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethylbut-2-ene-1,4-diamine is sourced from PubChem (CID 141333326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).