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

C11H22N2O2 — CID 117010915

IUPAC4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one
SMILESCCCCCN1C(=O)OCCC1CCN
InChIInChI=1S/C11H22N2O2/c1-2-3-4-8-13-10(5-7-12)6-9-15-11(13)14/h10H,2-9,12H2,1H3
InChIKeyQVYDKQOTHVMMBA-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.74
Rot. Bonds6

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

4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one (PubChem CID 117010915) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one
PubChem CID117010915
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one
SMILESCCCCCN1C(=O)OCCC1CCN
InChIInChI=1S/C11H22N2O2/c1-2-3-4-8-13-10(5-7-12)6-9-15-11(13)14/h10H,2-9,12H2,1H3
InChIKeyQVYDKQOTHVMMBA-UHFFFAOYSA-N
XLogP1.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one?
The IUPAC name of 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one (CID 117010915) is 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one?
The canonical SMILES for 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one is CCCCCN1C(=O)OCCC1CCN.
What is the InChIKey of 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one?
The InChIKey is QVYDKQOTHVMMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-4-8-13-10(5-7-12)6-9-15-11(13)14/h10H,2-9,12H2,1H3.
What are the key properties of 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one?
4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one has a molecular weight of 214.31 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one is sourced from PubChem (CID 117010915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).