2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine

C13H28N2O — CID 103339358

IUPAC2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine
SMILESC=CCN(CCOC)CC(CC)(CC)CN
InChIInChI=1S/C13H28N2O/c1-5-8-15(9-10-16-4)12-13(6-2,7-3)11-14/h5H,1,6-12,14H2,2-4H3
InChIKeyPZQDZDDEPQJPSQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.89
Rot. Bonds10

About 2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine

2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine (PubChem CID 103339358) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine
PubChem CID103339358
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine
SMILESC=CCN(CCOC)CC(CC)(CC)CN
InChIInChI=1S/C13H28N2O/c1-5-8-15(9-10-16-4)12-13(6-2,7-3)11-14/h5H,1,6-12,14H2,2-4H3
InChIKeyPZQDZDDEPQJPSQ-UHFFFAOYSA-N
XLogP1.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine (CID 103339358) is 2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine is C=CCN(CCOC)CC(CC)(CC)CN.
What is the InChIKey of 2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine?
The InChIKey is PZQDZDDEPQJPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-8-15(9-10-16-4)12-13(6-2,7-3)11-14/h5H,1,6-12,14H2,2-4H3.
What are the key properties of 2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine?
2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine is sourced from PubChem (CID 103339358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).