1-[2-[1-(methylamino)ethyl]phenyl]-1,3-diazinan-2-one

C13H19N3O — CID 65295411

IUPAC1-[2-[1-(methylamino)ethyl]phenyl]-1,3-diazinan-2-one
SMILESCNC(C)c1ccccc1N1CCCNC1=O
InChIInChI=1S/C13H19N3O/c1-10(14-2)11-6-3-4-7-12(11)16-9-5-8-15-13(16)17/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,15,17)
InChIKeyWVJVEIUWRWFWNF-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.89
Rot. Bonds3

About 1-[2-[1-(methylamino)ethyl]phenyl]-1,3-diazinan-2-one

1-[2-[1-(methylamino)ethyl]phenyl]-1,3-diazinan-2-one (PubChem CID 65295411) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-[1-(methylamino)ethyl]phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-[1-(methylamino)ethyl]phenyl]-1,3-diazinan-2-one
PubChem CID65295411
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[2-[1-(methylamino)ethyl]phenyl]-1,3-diazinan-2-one
SMILESCNC(C)c1ccccc1N1CCCNC1=O
InChIInChI=1S/C13H19N3O/c1-10(14-2)11-6-3-4-7-12(11)16-9-5-8-15-13(16)17/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,15,17)
InChIKeyWVJVEIUWRWFWNF-UHFFFAOYSA-N
XLogP1.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(methylamino)ethyl]phenyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[2-[1-(methylamino)ethyl]phenyl]-1,3-diazinan-2-one (CID 65295411) is 1-[2-[1-(methylamino)ethyl]phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-[1-(methylamino)ethyl]phenyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-[1-(methylamino)ethyl]phenyl]-1,3-diazinan-2-one is CNC(C)c1ccccc1N1CCCNC1=O.
What is the InChIKey of 1-[2-[1-(methylamino)ethyl]phenyl]-1,3-diazinan-2-one?
The InChIKey is WVJVEIUWRWFWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(14-2)11-6-3-4-7-12(11)16-9-5-8-15-13(16)17/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,15,17).
What are the key properties of 1-[2-[1-(methylamino)ethyl]phenyl]-1,3-diazinan-2-one?
1-[2-[1-(methylamino)ethyl]phenyl]-1,3-diazinan-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(methylamino)ethyl]phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 65295411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).