1,3-diethylimidazolidine

C7H16N2 — CID 581242

IUPAC1,3-diethylimidazolidine
SMILESCCN1CCN(CC)C1
InChIInChI=1S/C7H16N2/c1-3-8-5-6-9(4-2)7-8/h3-7H2,1-2H3
InChIKeyBEUKLVYOGCCEPF-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.60
Rot. Bonds2

About 1,3-diethylimidazolidine

1,3-diethylimidazolidine (PubChem CID 581242) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1,3-diethylimidazolidine.

Molecular Properties

Compound Name1,3-diethylimidazolidine
PubChem CID581242
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1,3-diethylimidazolidine
SMILESCCN1CCN(CC)C1
InChIInChI=1S/C7H16N2/c1-3-8-5-6-9(4-2)7-8/h3-7H2,1-2H3
InChIKeyBEUKLVYOGCCEPF-UHFFFAOYSA-N
XLogP0.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethylimidazolidine?
The IUPAC name of 1,3-diethylimidazolidine (CID 581242) is 1,3-diethylimidazolidine.
What is the SMILES notation for 1,3-diethylimidazolidine?
The canonical SMILES for 1,3-diethylimidazolidine is CCN1CCN(CC)C1.
What is the InChIKey of 1,3-diethylimidazolidine?
The InChIKey is BEUKLVYOGCCEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-8-5-6-9(4-2)7-8/h3-7H2,1-2H3.
What are the key properties of 1,3-diethylimidazolidine?
1,3-diethylimidazolidine has a molecular weight of 128.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylimidazolidine is sourced from PubChem (CID 581242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).