1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one

C10H20N2O3 — CID 20720394

IUPAC1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one
SMILESCCN1CC(C)(C)C(OC)N(CO)C1=O
InChIInChI=1S/C10H20N2O3/c1-5-11-6-10(2,3)8(15-4)12(7-13)9(11)14/h8,13H,5-7H2,1-4H3
InChIKeyKGPAYOCTFDHRRH-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.69
Rot. Bonds3

About 1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one

1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one (PubChem CID 20720394) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one
PubChem CID20720394
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one
SMILESCCN1CC(C)(C)C(OC)N(CO)C1=O
InChIInChI=1S/C10H20N2O3/c1-5-11-6-10(2,3)8(15-4)12(7-13)9(11)14/h8,13H,5-7H2,1-4H3
InChIKeyKGPAYOCTFDHRRH-UHFFFAOYSA-N
XLogP0.69
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-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 1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one?
The IUPAC name of 1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one (CID 20720394) is 1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one?
The canonical SMILES for 1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one is CCN1CC(C)(C)C(OC)N(CO)C1=O.
What is the InChIKey of 1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one?
The InChIKey is KGPAYOCTFDHRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-11-6-10(2,3)8(15-4)12(7-13)9(11)14/h8,13H,5-7H2,1-4H3.
What are the key properties of 1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one?
1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one has a molecular weight of 216.28 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one is sourced from PubChem (CID 20720394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).