1-(3-amino-2,2-dimethylpropyl)-4-(oxan-4-yl)imidazolidin-2-one

C13H25N3O2 — CID 116978841

IUPAC1-(3-amino-2,2-dimethylpropyl)-4-(oxan-4-yl)imidazolidin-2-one
SMILESCC(C)(CN)CN1CC(C2CCOCC2)NC1=O
InChIInChI=1S/C13H25N3O2/c1-13(2,8-14)9-16-7-11(15-12(16)17)10-3-5-18-6-4-10/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyGWFBWCZWBUDKAL-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.79
Rot. Bonds4

About 1-(3-amino-2,2-dimethylpropyl)-4-(oxan-4-yl)imidazolidin-2-one

1-(3-amino-2,2-dimethylpropyl)-4-(oxan-4-yl)imidazolidin-2-one (PubChem CID 116978841) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylpropyl)-4-(oxan-4-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylpropyl)-4-(oxan-4-yl)imidazolidin-2-one
PubChem CID116978841
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-(3-amino-2,2-dimethylpropyl)-4-(oxan-4-yl)imidazolidin-2-one
SMILESCC(C)(CN)CN1CC(C2CCOCC2)NC1=O
InChIInChI=1S/C13H25N3O2/c1-13(2,8-14)9-16-7-11(15-12(16)17)10-3-5-18-6-4-10/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyGWFBWCZWBUDKAL-UHFFFAOYSA-N
XLogP0.79
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-4-(oxan-4-yl)imidazolidin-2-one?
The IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-4-(oxan-4-yl)imidazolidin-2-one (CID 116978841) is 1-(3-amino-2,2-dimethylpropyl)-4-(oxan-4-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-amino-2,2-dimethylpropyl)-4-(oxan-4-yl)imidazolidin-2-one?
The canonical SMILES for 1-(3-amino-2,2-dimethylpropyl)-4-(oxan-4-yl)imidazolidin-2-one is CC(C)(CN)CN1CC(C2CCOCC2)NC1=O.
What is the InChIKey of 1-(3-amino-2,2-dimethylpropyl)-4-(oxan-4-yl)imidazolidin-2-one?
The InChIKey is GWFBWCZWBUDKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,8-14)9-16-7-11(15-12(16)17)10-3-5-18-6-4-10/h10-11H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of 1-(3-amino-2,2-dimethylpropyl)-4-(oxan-4-yl)imidazolidin-2-one?
1-(3-amino-2,2-dimethylpropyl)-4-(oxan-4-yl)imidazolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-dimethylpropyl)-4-(oxan-4-yl)imidazolidin-2-one is sourced from PubChem (CID 116978841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).