1-(2-amino-2-methylpropyl)-3-methyl-4-(oxan-4-yl)imidazolidin-2-one

C13H25N3O2 — CID 116981420

IUPAC1-(2-amino-2-methylpropyl)-3-methyl-4-(oxan-4-yl)imidazolidin-2-one
SMILESCN1C(=O)N(CC(C)(C)N)CC1C1CCOCC1
InChIInChI=1S/C13H25N3O2/c1-13(2,14)9-16-8-11(15(3)12(16)17)10-4-6-18-7-5-10/h10-11H,4-9,14H2,1-3H3
InChIKeyYINCZAPNWPSLSX-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.89
Rot. Bonds3

About 1-(2-amino-2-methylpropyl)-3-methyl-4-(oxan-4-yl)imidazolidin-2-one

1-(2-amino-2-methylpropyl)-3-methyl-4-(oxan-4-yl)imidazolidin-2-one (PubChem CID 116981420) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)-3-methyl-4-(oxan-4-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-2-methylpropyl)-3-methyl-4-(oxan-4-yl)imidazolidin-2-one
PubChem CID116981420
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-(2-amino-2-methylpropyl)-3-methyl-4-(oxan-4-yl)imidazolidin-2-one
SMILESCN1C(=O)N(CC(C)(C)N)CC1C1CCOCC1
InChIInChI=1S/C13H25N3O2/c1-13(2,14)9-16-8-11(15(3)12(16)17)10-4-6-18-7-5-10/h10-11H,4-9,14H2,1-3H3
InChIKeyYINCZAPNWPSLSX-UHFFFAOYSA-N
XLogP0.89
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)-3-methyl-4-(oxan-4-yl)imidazolidin-2-one?
The IUPAC name of 1-(2-amino-2-methylpropyl)-3-methyl-4-(oxan-4-yl)imidazolidin-2-one (CID 116981420) is 1-(2-amino-2-methylpropyl)-3-methyl-4-(oxan-4-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-amino-2-methylpropyl)-3-methyl-4-(oxan-4-yl)imidazolidin-2-one?
The canonical SMILES for 1-(2-amino-2-methylpropyl)-3-methyl-4-(oxan-4-yl)imidazolidin-2-one is CN1C(=O)N(CC(C)(C)N)CC1C1CCOCC1.
What is the InChIKey of 1-(2-amino-2-methylpropyl)-3-methyl-4-(oxan-4-yl)imidazolidin-2-one?
The InChIKey is YINCZAPNWPSLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,14)9-16-8-11(15(3)12(16)17)10-4-6-18-7-5-10/h10-11H,4-9,14H2,1-3H3.
What are the key properties of 1-(2-amino-2-methylpropyl)-3-methyl-4-(oxan-4-yl)imidazolidin-2-one?
1-(2-amino-2-methylpropyl)-3-methyl-4-(oxan-4-yl)imidazolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropyl)-3-methyl-4-(oxan-4-yl)imidazolidin-2-one is sourced from PubChem (CID 116981420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).