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

C13H27N3O2 — CID 22381154

IUPAC1-[3-[3-(butylamino)propoxy]propyl]imidazolidin-2-one
SMILESCCCCNCCCOCCCN1CCNC1=O
InChIInChI=1S/C13H27N3O2/c1-2-3-6-14-7-4-11-18-12-5-9-16-10-8-15-13(16)17/h14H,2-12H2,1H3,(H,15,17)
InChIKeyDSGUGPGHVBMTNA-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.20
Rot. Bonds11

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

1-[3-[3-(butylamino)propoxy]propyl]imidazolidin-2-one (PubChem CID 22381154) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[3-[3-(butylamino)propoxy]propyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(butylamino)propoxy]propyl]imidazolidin-2-one
PubChem CID22381154
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name1-[3-[3-(butylamino)propoxy]propyl]imidazolidin-2-one
SMILESCCCCNCCCOCCCN1CCNC1=O
InChIInChI=1S/C13H27N3O2/c1-2-3-6-14-7-4-11-18-12-5-9-16-10-8-15-13(16)17/h14H,2-12H2,1H3,(H,15,17)
InChIKeyDSGUGPGHVBMTNA-UHFFFAOYSA-N
XLogP1.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.20
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-(butylamino)propoxy]propyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[3-(butylamino)propoxy]propyl]imidazolidin-2-one (CID 22381154) is 1-[3-[3-(butylamino)propoxy]propyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[3-(butylamino)propoxy]propyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[3-(butylamino)propoxy]propyl]imidazolidin-2-one is CCCCNCCCOCCCN1CCNC1=O.
What is the InChIKey of 1-[3-[3-(butylamino)propoxy]propyl]imidazolidin-2-one?
The InChIKey is DSGUGPGHVBMTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-2-3-6-14-7-4-11-18-12-5-9-16-10-8-15-13(16)17/h14H,2-12H2,1H3,(H,15,17).
What are the key properties of 1-[3-[3-(butylamino)propoxy]propyl]imidazolidin-2-one?
1-[3-[3-(butylamino)propoxy]propyl]imidazolidin-2-one has a molecular weight of 257.38 g/mol, XLogP of 1.20, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(butylamino)propoxy]propyl]imidazolidin-2-one is sourced from PubChem (CID 22381154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).