5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one

C10H20N2O2 — CID 117002371

IUPAC5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one
SMILESCCC(C)N1CC(CCN)COC1=O
InChIInChI=1S/C10H20N2O2/c1-3-8(2)12-6-9(4-5-11)7-14-10(12)13/h8-9H,3-7,11H2,1-2H3
InChIKeyPUGGPNNULXTPRY-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.20
Rot. Bonds4

About 5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one

5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one (PubChem CID 117002371) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one
PubChem CID117002371
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one
SMILESCCC(C)N1CC(CCN)COC1=O
InChIInChI=1S/C10H20N2O2/c1-3-8(2)12-6-9(4-5-11)7-14-10(12)13/h8-9H,3-7,11H2,1-2H3
InChIKeyPUGGPNNULXTPRY-UHFFFAOYSA-N
XLogP1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-aminoethyl)-3-butan-2-yl-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

Related Compounds

5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one
CID 117002200
3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid
CID 117011202
5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one
CID 117002404
5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one
CID 117002390
5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one
CID 117002393
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one
CID 117002429
5-(2-aminoethyl)-3-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one
CID 117002431
1-butan-2-ylaziridin-2-one
CID 23556405
4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one
CID 117010803
5-methyl-3-propan-2-yl-1,3-oxazinan-2-one
CID 156532561
5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one
CID 117002464
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674784

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one?
The IUPAC name of 5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one (CID 117002371) is 5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one?
The canonical SMILES for 5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one is CCC(C)N1CC(CCN)COC1=O.
What is the InChIKey of 5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one?
The InChIKey is PUGGPNNULXTPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-8(2)12-6-9(4-5-11)7-14-10(12)13/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one?
5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one has a molecular weight of 200.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one is sourced from PubChem (CID 117002371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).