1-[2-(2-aminocycloheptyl)oxyethyl]imidazolidin-2-one

C12H23N3O2 — CID 106938892

IUPAC1-[2-(2-aminocycloheptyl)oxyethyl]imidazolidin-2-one
SMILESNC1CCCCCC1OCCN1CCNC1=O
InChIInChI=1S/C12H23N3O2/c13-10-4-2-1-3-5-11(10)17-9-8-15-7-6-14-12(15)16/h10-11H,1-9,13H2,(H,14,16)
InChIKeyHWDNGTUQHFHFFP-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.69
Rot. Bonds4

About 1-[2-(2-aminocycloheptyl)oxyethyl]imidazolidin-2-one

1-[2-(2-aminocycloheptyl)oxyethyl]imidazolidin-2-one (PubChem CID 106938892) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[2-(2-aminocycloheptyl)oxyethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-aminocycloheptyl)oxyethyl]imidazolidin-2-one
PubChem CID106938892
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[2-(2-aminocycloheptyl)oxyethyl]imidazolidin-2-one
SMILESNC1CCCCCC1OCCN1CCNC1=O
InChIInChI=1S/C12H23N3O2/c13-10-4-2-1-3-5-11(10)17-9-8-15-7-6-14-12(15)16/h10-11H,1-9,13H2,(H,14,16)
InChIKeyHWDNGTUQHFHFFP-UHFFFAOYSA-N
XLogP0.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminocycloheptyl)oxyethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2-aminocycloheptyl)oxyethyl]imidazolidin-2-one (CID 106938892) is 1-[2-(2-aminocycloheptyl)oxyethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2-aminocycloheptyl)oxyethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2-aminocycloheptyl)oxyethyl]imidazolidin-2-one is NC1CCCCCC1OCCN1CCNC1=O.
What is the InChIKey of 1-[2-(2-aminocycloheptyl)oxyethyl]imidazolidin-2-one?
The InChIKey is HWDNGTUQHFHFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-10-4-2-1-3-5-11(10)17-9-8-15-7-6-14-12(15)16/h10-11H,1-9,13H2,(H,14,16).
What are the key properties of 1-[2-(2-aminocycloheptyl)oxyethyl]imidazolidin-2-one?
1-[2-(2-aminocycloheptyl)oxyethyl]imidazolidin-2-one has a molecular weight of 241.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminocycloheptyl)oxyethyl]imidazolidin-2-one is sourced from PubChem (CID 106938892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).