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

C10H21N3O2 — CID 22381188

IUPAC1-[3-[3-(methylamino)propoxy]propyl]imidazolidin-2-one
SMILESCNCCCOCCCN1CCNC1=O
InChIInChI=1S/C10H21N3O2/c1-11-4-2-8-15-9-3-6-13-7-5-12-10(13)14/h11H,2-9H2,1H3,(H,12,14)
InChIKeyWIIODIXTMBLYDE-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.03
Rot. Bonds8

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

1-[3-[3-(methylamino)propoxy]propyl]imidazolidin-2-one (PubChem CID 22381188) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[3-[3-(methylamino)propoxy]propyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(methylamino)propoxy]propyl]imidazolidin-2-one
PubChem CID22381188
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name1-[3-[3-(methylamino)propoxy]propyl]imidazolidin-2-one
SMILESCNCCCOCCCN1CCNC1=O
InChIInChI=1S/C10H21N3O2/c1-11-4-2-8-15-9-3-6-13-7-5-12-10(13)14/h11H,2-9H2,1H3,(H,12,14)
InChIKeyWIIODIXTMBLYDE-UHFFFAOYSA-N
XLogP0.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.03
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-(methylamino)propoxy]propyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[3-(methylamino)propoxy]propyl]imidazolidin-2-one (CID 22381188) is 1-[3-[3-(methylamino)propoxy]propyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[3-(methylamino)propoxy]propyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[3-(methylamino)propoxy]propyl]imidazolidin-2-one is CNCCCOCCCN1CCNC1=O.
What is the InChIKey of 1-[3-[3-(methylamino)propoxy]propyl]imidazolidin-2-one?
The InChIKey is WIIODIXTMBLYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-11-4-2-8-15-9-3-6-13-7-5-12-10(13)14/h11H,2-9H2,1H3,(H,12,14).
What are the key properties of 1-[3-[3-(methylamino)propoxy]propyl]imidazolidin-2-one?
1-[3-[3-(methylamino)propoxy]propyl]imidazolidin-2-one has a molecular weight of 215.30 g/mol, XLogP of 0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(methylamino)propoxy]propyl]imidazolidin-2-one is sourced from PubChem (CID 22381188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).