(E)-but-2-ene-1,4-diamine

C4H10N2 — CID 6392687

IUPAC(E)-but-2-ene-1,4-diamine
SMILESNC/C=C/CN
InChIInChI=1S/C4H10N2/c5-3-1-2-4-6/h1-2H,3-6H2/b2-1+
InChIKeyFPYGTMVTDDBHRP-OWOJBTEDSA-N
MW86.14 g/mol
LogP-0.54
Rot. Bonds2

About (E)-but-2-ene-1,4-diamine

(E)-but-2-ene-1,4-diamine (PubChem CID 6392687) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is (E)-but-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-but-2-ene-1,4-diamine
PubChem CID6392687
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC Name(E)-but-2-ene-1,4-diamine
SMILESNC/C=C/CN
InChIInChI=1S/C4H10N2/c5-3-1-2-4-6/h1-2H,3-6H2/b2-1+
InChIKeyFPYGTMVTDDBHRP-OWOJBTEDSA-N
XLogP-0.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
LogP ≤ 5-0.54
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 (E)-but-2-ene-1,4-diamine?
The IUPAC name of (E)-but-2-ene-1,4-diamine (CID 6392687) is (E)-but-2-ene-1,4-diamine.
What is the SMILES notation for (E)-but-2-ene-1,4-diamine?
The canonical SMILES for (E)-but-2-ene-1,4-diamine is NC/C=C/CN.
What is the InChIKey of (E)-but-2-ene-1,4-diamine?
The InChIKey is FPYGTMVTDDBHRP-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H10N2/c5-3-1-2-4-6/h1-2H,3-6H2/b2-1+.
What are the key properties of (E)-but-2-ene-1,4-diamine?
(E)-but-2-ene-1,4-diamine has a molecular weight of 86.14 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene-1,4-diamine is sourced from PubChem (CID 6392687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).