6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one

C15H22N2O2 — CID 117011006

IUPAC6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one
SMILESCc1cc(C)c(N2CCC(CCN)OC2=O)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-10-8-11(2)14(12(3)9-10)17-7-5-13(4-6-16)19-15(17)18/h8-9,13H,4-7,16H2,1-3H3
InChIKeyPWKYNUBLZZUMMQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.68
Rot. Bonds3

About 6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one

6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one (PubChem CID 117011006) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one
PubChem CID117011006
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one
SMILESCc1cc(C)c(N2CCC(CCN)OC2=O)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-10-8-11(2)14(12(3)9-10)17-7-5-13(4-6-16)19-15(17)18/h8-9,13H,4-7,16H2,1-3H3
InChIKeyPWKYNUBLZZUMMQ-UHFFFAOYSA-N
XLogP2.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one
CID 117011000
5-(aminomethyl)-3-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazolidin-2-one
CID 116838111
3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011618
6-(aminomethyl)-3-(4-bromo-3-methylphenyl)-1,3-oxazinan-2-one
CID 117010789
5-(aminomethyl)-3-(2-methoxy-3,5-dimethylphenyl)-1,3-oxazolidin-2-one
CID 116838095
5-(2-aminoethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 15117126
6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
CID 117010770
6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one
CID 117010986
5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82391857
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 115003408
(3S)-3-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 124863883
2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 82077188

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one (CID 117011006) is 6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one is Cc1cc(C)c(N2CCC(CCN)OC2=O)c(C)c1.
What is the InChIKey of 6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one?
The InChIKey is PWKYNUBLZZUMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-8-11(2)14(12(3)9-10)17-7-5-13(4-6-16)19-15(17)18/h8-9,13H,4-7,16H2,1-3H3.
What are the key properties of 6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one?
6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117011006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).