1-[2-(octylamino)ethyl]imidazolidin-2-one

C13H27N3O — CID 113337199

IUPAC1-[2-(octylamino)ethyl]imidazolidin-2-one
SMILESCCCCCCCCNCCN1CCNC1=O
InChIInChI=1S/C13H27N3O/c1-2-3-4-5-6-7-8-14-9-11-16-12-10-15-13(16)17/h14H,2-12H2,1H3,(H,15,17)
InChIKeyYBPNOBJSOPABDZ-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.96
Rot. Bonds10

About 1-[2-(octylamino)ethyl]imidazolidin-2-one

1-[2-(octylamino)ethyl]imidazolidin-2-one (PubChem CID 113337199) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[2-(octylamino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(octylamino)ethyl]imidazolidin-2-one
PubChem CID113337199
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[2-(octylamino)ethyl]imidazolidin-2-one
SMILESCCCCCCCCNCCN1CCNC1=O
InChIInChI=1S/C13H27N3O/c1-2-3-4-5-6-7-8-14-9-11-16-12-10-15-13(16)17/h14H,2-12H2,1H3,(H,15,17)
InChIKeyYBPNOBJSOPABDZ-UHFFFAOYSA-N
XLogP1.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-(octylamino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(octylamino)ethyl]imidazolidin-2-one (CID 113337199) is 1-[2-(octylamino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(octylamino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(octylamino)ethyl]imidazolidin-2-one is CCCCCCCCNCCN1CCNC1=O.
What is the InChIKey of 1-[2-(octylamino)ethyl]imidazolidin-2-one?
The InChIKey is YBPNOBJSOPABDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-3-4-5-6-7-8-14-9-11-16-12-10-15-13(16)17/h14H,2-12H2,1H3,(H,15,17).
What are the key properties of 1-[2-(octylamino)ethyl]imidazolidin-2-one?
1-[2-(octylamino)ethyl]imidazolidin-2-one has a molecular weight of 241.38 g/mol, XLogP of 1.96, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(octylamino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 113337199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).