(E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine

C14H30N2O4 — CID 59520542

IUPAC(E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine
SMILESCOCCOCCNC/C=C/CNCCOCCOC
InChIInChI=1S/C14H30N2O4/c1-17-11-13-19-9-7-15-5-3-4-6-16-8-10-20-14-12-18-2/h3-4,15-16H,5-14H2,1-2H3/b4-3+
InChIKeyAWMLYADFGQOMQT-ONEGZZNKSA-N
MW290.40 g/mol
LogP0.05
Rot. Bonds16

About (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine

(E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine (PubChem CID 59520542) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine
PubChem CID59520542
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name(E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine
SMILESCOCCOCCNC/C=C/CNCCOCCOC
InChIInChI=1S/C14H30N2O4/c1-17-11-13-19-9-7-15-5-3-4-6-16-8-10-20-14-12-18-2/h3-4,15-16H,5-14H2,1-2H3/b4-3+
InChIKeyAWMLYADFGQOMQT-ONEGZZNKSA-N
XLogP0.05
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine?
The IUPAC name of (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine (CID 59520542) is (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine?
The canonical SMILES for (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine is COCCOCCNC/C=C/CNCCOCCOC.
What is the InChIKey of (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine?
The InChIKey is AWMLYADFGQOMQT-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-17-11-13-19-9-7-15-5-3-4-6-16-8-10-20-14-12-18-2/h3-4,15-16H,5-14H2,1-2H3/b4-3+.
What are the key properties of (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine?
(E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine has a molecular weight of 290.40 g/mol, XLogP of 0.05, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine is sourced from PubChem (CID 59520542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).