2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine

C8H20N2O — CID 63070797

IUPAC2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine
SMILESCCOC(CN)CN(C)CC
InChIInChI=1S/C8H20N2O/c1-4-10(3)7-8(6-9)11-5-2/h8H,4-7,9H2,1-3H3
InChIKeyBAECNSXBBDDFDE-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.30
Rot. Bonds6

About 2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine

2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine (PubChem CID 63070797) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine
PubChem CID63070797
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine
SMILESCCOC(CN)CN(C)CC
InChIInChI=1S/C8H20N2O/c1-4-10(3)7-8(6-9)11-5-2/h8H,4-7,9H2,1-3H3
InChIKeyBAECNSXBBDDFDE-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine (CID 63070797) is 2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine is CCOC(CN)CN(C)CC.
What is the InChIKey of 2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine?
The InChIKey is BAECNSXBBDDFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-4-10(3)7-8(6-9)11-5-2/h8H,4-7,9H2,1-3H3.
What are the key properties of 2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine?
2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine has a molecular weight of 160.26 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 63070797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).