bis(ethane-1,2-diamine);oxirane

C6H20N4O — CID 88760484

IUPACbis(ethane-1,2-diamine);oxirane
SMILESC1CO1.NCCN.NCCN
InChIInChI=1S/2C2H8N2.C2H4O/c2*3-1-2-4;1-2-3-1/h2*1-4H2;1-2H2
InChIKeyAYTHYMWHCJREFZ-UHFFFAOYSA-N
MW164.25 g/mol
LogP-2.18
Rot. Bonds2

About bis(ethane-1,2-diamine);oxirane

bis(ethane-1,2-diamine);oxirane (PubChem CID 88760484) has the molecular formula C6H20N4O and a molecular weight of 164.25 g/mol. Its IUPAC name is bis(ethane-1,2-diamine);oxirane.

Molecular Properties

Compound Namebis(ethane-1,2-diamine);oxirane
PubChem CID88760484
Molecular FormulaC6H20N4O
Molecular Weight164.25 g/mol
Exact Mass164.16
IUPAC Namebis(ethane-1,2-diamine);oxirane
SMILESC1CO1.NCCN.NCCN
InChIInChI=1S/2C2H8N2.C2H4O/c2*3-1-2-4;1-2-3-1/h2*1-4H2;1-2H2
InChIKeyAYTHYMWHCJREFZ-UHFFFAOYSA-N
XLogP-2.18
TPSA116.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(ethane-1,2-diamine);oxirane?
The IUPAC name of bis(ethane-1,2-diamine);oxirane (CID 88760484) is bis(ethane-1,2-diamine);oxirane.
What is the SMILES notation for bis(ethane-1,2-diamine);oxirane?
The canonical SMILES for bis(ethane-1,2-diamine);oxirane is C1CO1.NCCN.NCCN.
What is the InChIKey of bis(ethane-1,2-diamine);oxirane?
The InChIKey is AYTHYMWHCJREFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H8N2.C2H4O/c2*3-1-2-4;1-2-3-1/h2*1-4H2;1-2H2.
What are the key properties of bis(ethane-1,2-diamine);oxirane?
bis(ethane-1,2-diamine);oxirane has a molecular weight of 164.25 g/mol, XLogP of -2.18, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diamine);oxirane is sourced from PubChem (CID 88760484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).