N'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine

C8H20N2O — CID 62559952

IUPACN'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
SMILESCCNCCNCCOCC
InChIInChI=1S/C8H20N2O/c1-3-9-5-6-10-7-8-11-4-2/h9-10H,3-8H2,1-2H3
InChIKeyDIAFXZSKZMESLA-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.22
Rot. Bonds8

About N'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine

N'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine (PubChem CID 62559952) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
PubChem CID62559952
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC NameN'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
SMILESCCNCCNCCOCC
InChIInChI=1S/C8H20N2O/c1-3-9-5-6-10-7-8-11-4-2/h9-10H,3-8H2,1-2H3
InChIKeyDIAFXZSKZMESLA-UHFFFAOYSA-N
XLogP0.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine (CID 62559952) is N'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine is CCNCCNCCOCC.
What is the InChIKey of N'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine?
The InChIKey is DIAFXZSKZMESLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-3-9-5-6-10-7-8-11-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine?
N'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine has a molecular weight of 160.26 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 62559952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).