5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one

C12H24N2O2 — CID 117002464

IUPAC5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one
SMILESCNCCC1COC(=O)N(CCC(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-10(2)5-7-14-8-11(4-6-13-3)9-16-12(14)15/h10-11,13H,4-9H2,1-3H3
InChIKeyFOGLOGRUJMJXRH-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.71
Rot. Bonds6

About 5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one

5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one (PubChem CID 117002464) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one
PubChem CID117002464
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one
SMILESCNCCC1COC(=O)N(CCC(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-10(2)5-7-14-8-11(4-6-13-3)9-16-12(14)15/h10-11,13H,4-9H2,1-3H3
InChIKeyFOGLOGRUJMJXRH-UHFFFAOYSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one
CID 117002450
3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one
CID 117002473
3-[3-(dimethylamino)propyl]-5-(methylaminomethyl)-1,3-oxazinan-2-one
CID 117002304
5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one
CID 117011136
3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one
CID 58234740
2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one
CID 117008575
3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011507
5-(methylaminomethyl)-3-(pyridin-4-ylmethyl)-1,3-oxazinan-2-one
CID 117002311
5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one
CID 117011129
5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one
CID 117002371
3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid
CID 117011202
5-(hydroxymethyl)-3-(2-morpholin-4-ylethyl)-1,3-oxazinan-2-one
CID 117011506

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one?
The IUPAC name of 5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one (CID 117002464) is 5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one?
The canonical SMILES for 5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one is CNCCC1COC(=O)N(CCC(C)C)C1.
What is the InChIKey of 5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one?
The InChIKey is FOGLOGRUJMJXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)5-7-14-8-11(4-6-13-3)9-16-12(14)15/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one?
5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one has a molecular weight of 228.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117002464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).