5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one

C13H27N3O — CID 83239659

IUPAC5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one
SMILESCCC(C)C1NCN(CCN(CC)CC)C1=O
InChIInChI=1S/C13H27N3O/c1-5-11(4)12-13(17)16(10-14-12)9-8-15(6-2)7-3/h11-12,14H,5-10H2,1-4H3
InChIKeyXQXXWLMZCCFSKE-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.13
Rot. Bonds7

About 5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one

5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one (PubChem CID 83239659) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one
PubChem CID83239659
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one
SMILESCCC(C)C1NCN(CCN(CC)CC)C1=O
InChIInChI=1S/C13H27N3O/c1-5-11(4)12-13(17)16(10-14-12)9-8-15(6-2)7-3/h11-12,14H,5-10H2,1-4H3
InChIKeyXQXXWLMZCCFSKE-UHFFFAOYSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one (CID 83239659) is 5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one is CCC(C)C1NCN(CCN(CC)CC)C1=O.
What is the InChIKey of 5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one?
The InChIKey is XQXXWLMZCCFSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-11(4)12-13(17)16(10-14-12)9-8-15(6-2)7-3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one?
5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one has a molecular weight of 241.38 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one is sourced from PubChem (CID 83239659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).