2-ethylbut-2-ene-1,4-diamine

C6H14N2 — CID 175910887

IUPAC2-ethylbut-2-ene-1,4-diamine
SMILESCCC(=CCN)CN
InChIInChI=1S/C6H14N2/c1-2-6(5-8)3-4-7/h3H,2,4-5,7-8H2,1H3
InChIKeyZPGLDLJIYNGMJS-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.24
Rot. Bonds3

About 2-ethylbut-2-ene-1,4-diamine

2-ethylbut-2-ene-1,4-diamine (PubChem CID 175910887) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-ethylbut-2-ene-1,4-diamine.

Molecular Properties

Compound Name2-ethylbut-2-ene-1,4-diamine
PubChem CID175910887
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name2-ethylbut-2-ene-1,4-diamine
SMILESCCC(=CCN)CN
InChIInChI=1S/C6H14N2/c1-2-6(5-8)3-4-7/h3H,2,4-5,7-8H2,1H3
InChIKeyZPGLDLJIYNGMJS-UHFFFAOYSA-N
XLogP0.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.24
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-ethylbut-2-ene-1,4-diamine?
The IUPAC name of 2-ethylbut-2-ene-1,4-diamine (CID 175910887) is 2-ethylbut-2-ene-1,4-diamine.
What is the SMILES notation for 2-ethylbut-2-ene-1,4-diamine?
The canonical SMILES for 2-ethylbut-2-ene-1,4-diamine is CCC(=CCN)CN.
What is the InChIKey of 2-ethylbut-2-ene-1,4-diamine?
The InChIKey is ZPGLDLJIYNGMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-2-6(5-8)3-4-7/h3H,2,4-5,7-8H2,1H3.
What are the key properties of 2-ethylbut-2-ene-1,4-diamine?
2-ethylbut-2-ene-1,4-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbut-2-ene-1,4-diamine is sourced from PubChem (CID 175910887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).