1-(3,3-diethoxypropyl)-1,3-diazinan-2-one

C11H22N2O3 — CID 69224786

IUPAC1-(3,3-diethoxypropyl)-1,3-diazinan-2-one
SMILESCCOC(CCN1CCCNC1=O)OCC
InChIInChI=1S/C11H22N2O3/c1-3-15-10(16-4-2)6-9-13-8-5-7-12-11(13)14/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyYOLPWRDFJSJAEU-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.19
Rot. Bonds7

About 1-(3,3-diethoxypropyl)-1,3-diazinan-2-one

1-(3,3-diethoxypropyl)-1,3-diazinan-2-one (PubChem CID 69224786) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)-1,3-diazinan-2-one
PubChem CID69224786
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-(3,3-diethoxypropyl)-1,3-diazinan-2-one
SMILESCCOC(CCN1CCCNC1=O)OCC
InChIInChI=1S/C11H22N2O3/c1-3-15-10(16-4-2)6-9-13-8-5-7-12-11(13)14/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyYOLPWRDFJSJAEU-UHFFFAOYSA-N
XLogP1.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(3,3-diethoxypropyl)-1,3-diazinan-2-one (CID 69224786) is 1-(3,3-diethoxypropyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3,3-diethoxypropyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(3,3-diethoxypropyl)-1,3-diazinan-2-one is CCOC(CCN1CCCNC1=O)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)-1,3-diazinan-2-one?
The InChIKey is YOLPWRDFJSJAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-15-10(16-4-2)6-9-13-8-5-7-12-11(13)14/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of 1-(3,3-diethoxypropyl)-1,3-diazinan-2-one?
1-(3,3-diethoxypropyl)-1,3-diazinan-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)-1,3-diazinan-2-one is sourced from PubChem (CID 69224786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).