1-ethoxyethane-1,1-diamine

C4H12N2O — CID 18415512

IUPAC1-ethoxyethane-1,1-diamine
SMILESCCOC(C)(N)N
InChIInChI=1S/C4H12N2O/c1-3-7-4(2,5)6/h3,5-6H2,1-2H3
InChIKeyHFVKRNPAYBXWAG-UHFFFAOYSA-N
MW104.15 g/mol
LogP-0.39
Rot. Bonds2

About 1-ethoxyethane-1,1-diamine

1-ethoxyethane-1,1-diamine (PubChem CID 18415512) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is 1-ethoxyethane-1,1-diamine.

Molecular Properties

Compound Name1-ethoxyethane-1,1-diamine
PubChem CID18415512
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Name1-ethoxyethane-1,1-diamine
SMILESCCOC(C)(N)N
InChIInChI=1S/C4H12N2O/c1-3-7-4(2,5)6/h3,5-6H2,1-2H3
InChIKeyHFVKRNPAYBXWAG-UHFFFAOYSA-N
XLogP-0.39
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethane-1,1-diamine?
The IUPAC name of 1-ethoxyethane-1,1-diamine (CID 18415512) is 1-ethoxyethane-1,1-diamine.
What is the SMILES notation for 1-ethoxyethane-1,1-diamine?
The canonical SMILES for 1-ethoxyethane-1,1-diamine is CCOC(C)(N)N.
What is the InChIKey of 1-ethoxyethane-1,1-diamine?
The InChIKey is HFVKRNPAYBXWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c1-3-7-4(2,5)6/h3,5-6H2,1-2H3.
What are the key properties of 1-ethoxyethane-1,1-diamine?
1-ethoxyethane-1,1-diamine has a molecular weight of 104.15 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethane-1,1-diamine is sourced from PubChem (CID 18415512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).