5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one

C12H24N2O2 — CID 115065235

IUPAC5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)CN1CC(C)(CCCN)OC1=O
InChIInChI=1S/C12H24N2O2/c1-11(2,3)8-14-9-12(4,6-5-7-13)16-10(14)15/h5-9,13H2,1-4H3
InChIKeyHPVKJPGTNAKXDX-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.98
Rot. Bonds4

About 5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one

5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one (PubChem CID 115065235) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one
PubChem CID115065235
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)CN1CC(C)(CCCN)OC1=O
InChIInChI=1S/C12H24N2O2/c1-11(2,3)8-14-9-12(4,6-5-7-13)16-10(14)15/h5-9,13H2,1-4H3
InChIKeyHPVKJPGTNAKXDX-UHFFFAOYSA-N
XLogP1.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one (CID 115065235) is 5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one is CC(C)(C)CN1CC(C)(CCCN)OC1=O.
What is the InChIKey of 5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is HPVKJPGTNAKXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)8-14-9-12(4,6-5-7-13)16-10(14)15/h5-9,13H2,1-4H3.
What are the key properties of 5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one?
5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 228.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115065235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).