1-ethoxy-N,N,N',N'-tetraethylethane-1,2-diamine

C12H28N2O — CID 171384490

IUPAC1-ethoxy-N,N,N',N'-tetraethylethane-1,2-diamine
SMILESCCOC(CN(CC)CC)N(CC)CC
InChIInChI=1S/C12H28N2O/c1-6-13(7-2)11-12(15-10-5)14(8-3)9-4/h12H,6-11H2,1-5H3
InChIKeyLSJSNHMPOFTNDC-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.03
Rot. Bonds9

About 1-ethoxy-N,N,N',N'-tetraethylethane-1,2-diamine

1-ethoxy-N,N,N',N'-tetraethylethane-1,2-diamine (PubChem CID 171384490) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-ethoxy-N,N,N',N'-tetraethylethane-1,2-diamine.

Molecular Properties

Compound Name1-ethoxy-N,N,N',N'-tetraethylethane-1,2-diamine
PubChem CID171384490
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-ethoxy-N,N,N',N'-tetraethylethane-1,2-diamine
SMILESCCOC(CN(CC)CC)N(CC)CC
InChIInChI=1S/C12H28N2O/c1-6-13(7-2)11-12(15-10-5)14(8-3)9-4/h12H,6-11H2,1-5H3
InChIKeyLSJSNHMPOFTNDC-UHFFFAOYSA-N
XLogP2.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
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-ethoxy-N,N,N',N'-tetraethylethane-1,2-diamine?
The IUPAC name of 1-ethoxy-N,N,N',N'-tetraethylethane-1,2-diamine (CID 171384490) is 1-ethoxy-N,N,N',N'-tetraethylethane-1,2-diamine.
What is the SMILES notation for 1-ethoxy-N,N,N',N'-tetraethylethane-1,2-diamine?
The canonical SMILES for 1-ethoxy-N,N,N',N'-tetraethylethane-1,2-diamine is CCOC(CN(CC)CC)N(CC)CC.
What is the InChIKey of 1-ethoxy-N,N,N',N'-tetraethylethane-1,2-diamine?
The InChIKey is LSJSNHMPOFTNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-13(7-2)11-12(15-10-5)14(8-3)9-4/h12H,6-11H2,1-5H3.
What are the key properties of 1-ethoxy-N,N,N',N'-tetraethylethane-1,2-diamine?
1-ethoxy-N,N,N',N'-tetraethylethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 2.03, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N,N,N',N'-tetraethylethane-1,2-diamine is sourced from PubChem (CID 171384490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).