4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one

C8H16N2O2 — CID 117010887

IUPAC4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one
SMILESCCN1C(=O)OCCC1CCN
InChIInChI=1S/C8H16N2O2/c1-2-10-7(3-5-9)4-6-12-8(10)11/h7H,2-6,9H2,1H3
InChIKeyPCNBLMWUKAZNQN-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.57
Rot. Bonds3

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

4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one (PubChem CID 117010887) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one
PubChem CID117010887
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one
SMILESCCN1C(=O)OCCC1CCN
InChIInChI=1S/C8H16N2O2/c1-2-10-7(3-5-9)4-6-12-8(10)11/h7H,2-6,9H2,1H3
InChIKeyPCNBLMWUKAZNQN-UHFFFAOYSA-N
XLogP0.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one
CID 117010915
4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one
CID 117010904
2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid
CID 117011235
4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one
CID 117010932
4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
CID 117010945
4-(2-aminoethyl)-3-(3,4-dimethylphenyl)-1,3-oxazinan-2-one
CID 117010922
4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one
CID 117010803
4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one
CID 117011328
4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060206
(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-1,3-oxazolidin-2-one
CID 173193396
(5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one
CID 15737590
5-(aminomethyl)-1-ethylpyrrolidin-2-one
CID 21312227

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one?
The IUPAC name of 4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one (CID 117010887) is 4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one?
The canonical SMILES for 4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one is CCN1C(=O)OCCC1CCN.
What is the InChIKey of 4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one?
The InChIKey is PCNBLMWUKAZNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-10-7(3-5-9)4-6-12-8(10)11/h7H,2-6,9H2,1H3.
What are the key properties of 4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one?
4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one has a molecular weight of 172.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 117010887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).