1-[3-[3-(ethylamino)propoxy]propyl]imidazolidin-2-one

C11H23N3O2 — CID 22381231

IUPAC1-[3-[3-(ethylamino)propoxy]propyl]imidazolidin-2-one
SMILESCCNCCCOCCCN1CCNC1=O
InChIInChI=1S/C11H23N3O2/c1-2-12-5-3-9-16-10-4-7-14-8-6-13-11(14)15/h12H,2-10H2,1H3,(H,13,15)
InChIKeyCOWZDKWOGSNRSW-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.42
Rot. Bonds9

About 1-[3-[3-(ethylamino)propoxy]propyl]imidazolidin-2-one

1-[3-[3-(ethylamino)propoxy]propyl]imidazolidin-2-one (PubChem CID 22381231) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[3-[3-(ethylamino)propoxy]propyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(ethylamino)propoxy]propyl]imidazolidin-2-one
PubChem CID22381231
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-[3-[3-(ethylamino)propoxy]propyl]imidazolidin-2-one
SMILESCCNCCCOCCCN1CCNC1=O
InChIInChI=1S/C11H23N3O2/c1-2-12-5-3-9-16-10-4-7-14-8-6-13-11(14)15/h12H,2-10H2,1H3,(H,13,15)
InChIKeyCOWZDKWOGSNRSW-UHFFFAOYSA-N
XLogP0.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(ethylamino)propoxy]propyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[3-(ethylamino)propoxy]propyl]imidazolidin-2-one (CID 22381231) is 1-[3-[3-(ethylamino)propoxy]propyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[3-(ethylamino)propoxy]propyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[3-(ethylamino)propoxy]propyl]imidazolidin-2-one is CCNCCCOCCCN1CCNC1=O.
What is the InChIKey of 1-[3-[3-(ethylamino)propoxy]propyl]imidazolidin-2-one?
The InChIKey is COWZDKWOGSNRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-12-5-3-9-16-10-4-7-14-8-6-13-11(14)15/h12H,2-10H2,1H3,(H,13,15).
What are the key properties of 1-[3-[3-(ethylamino)propoxy]propyl]imidazolidin-2-one?
1-[3-[3-(ethylamino)propoxy]propyl]imidazolidin-2-one has a molecular weight of 229.32 g/mol, XLogP of 0.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(ethylamino)propoxy]propyl]imidazolidin-2-one is sourced from PubChem (CID 22381231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).