1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]imidazolidin-2-one

C11H21N3O3 — CID 65051764

IUPAC1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]imidazolidin-2-one
SMILESNCC1(OCCN2CCNC2=O)CCOCC1
InChIInChI=1S/C11H21N3O3/c12-9-11(1-6-16-7-2-11)17-8-5-14-4-3-13-10(14)15/h1-9,12H2,(H,13,15)
InChIKeyIKGLPFRIQFEDBN-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.46
Rot. Bonds5

About 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]imidazolidin-2-one

1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]imidazolidin-2-one (PubChem CID 65051764) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]imidazolidin-2-one
PubChem CID65051764
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]imidazolidin-2-one
SMILESNCC1(OCCN2CCNC2=O)CCOCC1
InChIInChI=1S/C11H21N3O3/c12-9-11(1-6-16-7-2-11)17-8-5-14-4-3-13-10(14)15/h1-9,12H2,(H,13,15)
InChIKeyIKGLPFRIQFEDBN-UHFFFAOYSA-N
XLogP-0.46
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]imidazolidin-2-one (CID 65051764) is 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]imidazolidin-2-one is NCC1(OCCN2CCNC2=O)CCOCC1.
What is the InChIKey of 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]imidazolidin-2-one?
The InChIKey is IKGLPFRIQFEDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c12-9-11(1-6-16-7-2-11)17-8-5-14-4-3-13-10(14)15/h1-9,12H2,(H,13,15).
What are the key properties of 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]imidazolidin-2-one?
1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]imidazolidin-2-one has a molecular weight of 243.31 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]imidazolidin-2-one is sourced from PubChem (CID 65051764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).