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

C11H23N3O2 — CID 117002304

IUPAC3-[3-(dimethylamino)propyl]-5-(methylaminomethyl)-1,3-oxazinan-2-one
SMILESCNCC1COC(=O)N(CCCN(C)C)C1
InChIInChI=1S/C11H23N3O2/c1-12-7-10-8-14(11(15)16-9-10)6-4-5-13(2)3/h10,12H,4-9H2,1-3H3
InChIKeyJGRIPOJYYPYRII-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.23
Rot. Bonds6

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

3-[3-(dimethylamino)propyl]-5-(methylaminomethyl)-1,3-oxazinan-2-one (PubChem CID 117002304) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-5-(methylaminomethyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-5-(methylaminomethyl)-1,3-oxazinan-2-one
PubChem CID117002304
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-[3-(dimethylamino)propyl]-5-(methylaminomethyl)-1,3-oxazinan-2-one
SMILESCNCC1COC(=O)N(CCCN(C)C)C1
InChIInChI=1S/C11H23N3O2/c1-12-7-10-8-14(11(15)16-9-10)6-4-5-13(2)3/h10,12H,4-9H2,1-3H3
InChIKeyJGRIPOJYYPYRII-UHFFFAOYSA-N
XLogP0.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.23
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-(methylaminomethyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-[3-(dimethylamino)propyl]-5-(methylaminomethyl)-1,3-oxazinan-2-one (CID 117002304) is 3-[3-(dimethylamino)propyl]-5-(methylaminomethyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-5-(methylaminomethyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-5-(methylaminomethyl)-1,3-oxazinan-2-one is CNCC1COC(=O)N(CCCN(C)C)C1.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-5-(methylaminomethyl)-1,3-oxazinan-2-one?
The InChIKey is JGRIPOJYYPYRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-12-7-10-8-14(11(15)16-9-10)6-4-5-13(2)3/h10,12H,4-9H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)propyl]-5-(methylaminomethyl)-1,3-oxazinan-2-one?
3-[3-(dimethylamino)propyl]-5-(methylaminomethyl)-1,3-oxazinan-2-one has a molecular weight of 229.32 g/mol, XLogP of 0.23, 6 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-(methylaminomethyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117002304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).