3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one

C10H20N2O3 — CID 117011507

IUPAC3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one
SMILESCN(C)CCCN1CC(CO)COC1=O
InChIInChI=1S/C10H20N2O3/c1-11(2)4-3-5-12-6-9(7-13)8-15-10(12)14/h9,13H,3-8H2,1-2H3
InChIKeyVWMIUPJKSRCTFX-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.00
Rot. Bonds5

About 3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one

3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one (PubChem CID 117011507) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one
PubChem CID117011507
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one
SMILESCN(C)CCCN1CC(CO)COC1=O
InChIInChI=1S/C10H20N2O3/c1-11(2)4-3-5-12-6-9(7-13)8-15-10(12)14/h9,13H,3-8H2,1-2H3
InChIKeyVWMIUPJKSRCTFX-UHFFFAOYSA-N
XLogP-0.00
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one (CID 117011507) is 3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one is CN(C)CCCN1CC(CO)COC1=O.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one?
The InChIKey is VWMIUPJKSRCTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-11(2)4-3-5-12-6-9(7-13)8-15-10(12)14/h9,13H,3-8H2,1-2H3.
What are the key properties of 3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one?
3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one has a molecular weight of 216.28 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117011507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).