1-[2-[3-(aminomethyl)pentan-3-yloxy]ethyl]imidazolidin-2-one

C11H23N3O2 — CID 65051020

IUPAC1-[2-[3-(aminomethyl)pentan-3-yloxy]ethyl]imidazolidin-2-one
SMILESCCC(CC)(CN)OCCN1CCNC1=O
InChIInChI=1S/C11H23N3O2/c1-3-11(4-2,9-12)16-8-7-14-6-5-13-10(14)15/h3-9,12H2,1-2H3,(H,13,15)
InChIKeyBRXITNXWAKJMIH-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.55
Rot. Bonds7

About 1-[2-[3-(aminomethyl)pentan-3-yloxy]ethyl]imidazolidin-2-one

1-[2-[3-(aminomethyl)pentan-3-yloxy]ethyl]imidazolidin-2-one (PubChem CID 65051020) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[2-[3-(aminomethyl)pentan-3-yloxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(aminomethyl)pentan-3-yloxy]ethyl]imidazolidin-2-one
PubChem CID65051020
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-[2-[3-(aminomethyl)pentan-3-yloxy]ethyl]imidazolidin-2-one
SMILESCCC(CC)(CN)OCCN1CCNC1=O
InChIInChI=1S/C11H23N3O2/c1-3-11(4-2,9-12)16-8-7-14-6-5-13-10(14)15/h3-9,12H2,1-2H3,(H,13,15)
InChIKeyBRXITNXWAKJMIH-UHFFFAOYSA-N
XLogP0.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(aminomethyl)pentan-3-yloxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[3-(aminomethyl)pentan-3-yloxy]ethyl]imidazolidin-2-one (CID 65051020) is 1-[2-[3-(aminomethyl)pentan-3-yloxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-(aminomethyl)pentan-3-yloxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[3-(aminomethyl)pentan-3-yloxy]ethyl]imidazolidin-2-one is CCC(CC)(CN)OCCN1CCNC1=O.
What is the InChIKey of 1-[2-[3-(aminomethyl)pentan-3-yloxy]ethyl]imidazolidin-2-one?
The InChIKey is BRXITNXWAKJMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-11(4-2,9-12)16-8-7-14-6-5-13-10(14)15/h3-9,12H2,1-2H3,(H,13,15).
What are the key properties of 1-[2-[3-(aminomethyl)pentan-3-yloxy]ethyl]imidazolidin-2-one?
1-[2-[3-(aminomethyl)pentan-3-yloxy]ethyl]imidazolidin-2-one has a molecular weight of 229.32 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(aminomethyl)pentan-3-yloxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 65051020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).