1-[2-(oxan-4-ylmethylamino)ethyl]imidazolidin-2-one

C11H21N3O2 — CID 63712730

IUPAC1-[2-(oxan-4-ylmethylamino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCC1CCOCC1
InChIInChI=1S/C11H21N3O2/c15-11-13-4-6-14(11)5-3-12-9-10-1-7-16-8-2-10/h10,12H,1-9H2,(H,13,15)
InChIKeyYMZCFSWOOJWIQM-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.03
Rot. Bonds5

About 1-[2-(oxan-4-ylmethylamino)ethyl]imidazolidin-2-one

1-[2-(oxan-4-ylmethylamino)ethyl]imidazolidin-2-one (PubChem CID 63712730) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[2-(oxan-4-ylmethylamino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(oxan-4-ylmethylamino)ethyl]imidazolidin-2-one
PubChem CID63712730
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[2-(oxan-4-ylmethylamino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCC1CCOCC1
InChIInChI=1S/C11H21N3O2/c15-11-13-4-6-14(11)5-3-12-9-10-1-7-16-8-2-10/h10,12H,1-9H2,(H,13,15)
InChIKeyYMZCFSWOOJWIQM-UHFFFAOYSA-N
XLogP0.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
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-[2-(oxan-4-ylmethylamino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(oxan-4-ylmethylamino)ethyl]imidazolidin-2-one (CID 63712730) is 1-[2-(oxan-4-ylmethylamino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(oxan-4-ylmethylamino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(oxan-4-ylmethylamino)ethyl]imidazolidin-2-one is O=C1NCCN1CCNCC1CCOCC1.
What is the InChIKey of 1-[2-(oxan-4-ylmethylamino)ethyl]imidazolidin-2-one?
The InChIKey is YMZCFSWOOJWIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c15-11-13-4-6-14(11)5-3-12-9-10-1-7-16-8-2-10/h10,12H,1-9H2,(H,13,15).
What are the key properties of 1-[2-(oxan-4-ylmethylamino)ethyl]imidazolidin-2-one?
1-[2-(oxan-4-ylmethylamino)ethyl]imidazolidin-2-one has a molecular weight of 227.31 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-ylmethylamino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 63712730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).