1-[2-[1-(aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one

C13H25N3O2 — CID 65051638

IUPAC1-[2-[1-(aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one
SMILESNCC1(OCCN2CCNC2=O)CCCCCC1
InChIInChI=1S/C13H25N3O2/c14-11-13(5-3-1-2-4-6-13)18-10-9-16-8-7-15-12(16)17/h1-11,14H2,(H,15,17)
InChIKeyOBPDOMLGIHXQBX-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.08
Rot. Bonds5

About 1-[2-[1-(aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one

1-[2-[1-(aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one (PubChem CID 65051638) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-[1-(aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one
PubChem CID65051638
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[2-[1-(aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one
SMILESNCC1(OCCN2CCNC2=O)CCCCCC1
InChIInChI=1S/C13H25N3O2/c14-11-13(5-3-1-2-4-6-13)18-10-9-16-8-7-15-12(16)17/h1-11,14H2,(H,15,17)
InChIKeyOBPDOMLGIHXQBX-UHFFFAOYSA-N
XLogP1.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[1-(aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one (CID 65051638) is 1-[2-[1-(aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-(aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-(aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one is NCC1(OCCN2CCNC2=O)CCCCCC1.
What is the InChIKey of 1-[2-[1-(aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one?
The InChIKey is OBPDOMLGIHXQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-11-13(5-3-1-2-4-6-13)18-10-9-16-8-7-15-12(16)17/h1-11,14H2,(H,15,17).
What are the key properties of 1-[2-[1-(aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one?
1-[2-[1-(aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one is sourced from PubChem (CID 65051638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).