2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine

C11H26N2O — CID 63069851

IUPAC2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
SMILESCCOC(CN)CN(C)C(C)C(C)C
InChIInChI=1S/C11H26N2O/c1-6-14-11(7-12)8-13(5)10(4)9(2)3/h9-11H,6-8,12H2,1-5H3
InChIKeyPRWSLFFPVDFZBF-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.33
Rot. Bonds7

About 2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine

2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine (PubChem CID 63069851) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
PubChem CID63069851
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
SMILESCCOC(CN)CN(C)C(C)C(C)C
InChIInChI=1S/C11H26N2O/c1-6-14-11(7-12)8-13(5)10(4)9(2)3/h9-11H,6-8,12H2,1-5H3
InChIKeyPRWSLFFPVDFZBF-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine?
The IUPAC name of 2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine (CID 63069851) is 2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine?
The canonical SMILES for 2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine is CCOC(CN)CN(C)C(C)C(C)C.
What is the InChIKey of 2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine?
The InChIKey is PRWSLFFPVDFZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-6-14-11(7-12)8-13(5)10(4)9(2)3/h9-11H,6-8,12H2,1-5H3.
What are the key properties of 2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine?
2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 63069851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).