3-ethyl-1-methyl-1,3-diazinan-4-one

C7H14N2O — CID 22323499

IUPAC3-ethyl-1-methyl-1,3-diazinan-4-one
SMILESCCN1CN(C)CCC1=O
InChIInChI=1S/C7H14N2O/c1-3-9-6-8(2)5-4-7(9)10/h3-6H2,1-2H3
InChIKeyBTZPGWHAENVISN-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.13
Rot. Bonds1

About 3-ethyl-1-methyl-1,3-diazinan-4-one

3-ethyl-1-methyl-1,3-diazinan-4-one (PubChem CID 22323499) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-1,3-diazinan-4-one
PubChem CID22323499
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-ethyl-1-methyl-1,3-diazinan-4-one
SMILESCCN1CN(C)CCC1=O
InChIInChI=1S/C7H14N2O/c1-3-9-6-8(2)5-4-7(9)10/h3-6H2,1-2H3
InChIKeyBTZPGWHAENVISN-UHFFFAOYSA-N
XLogP0.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1,3-diazinan-4-one?
The IUPAC name of 3-ethyl-1-methyl-1,3-diazinan-4-one (CID 22323499) is 3-ethyl-1-methyl-1,3-diazinan-4-one.
What is the SMILES notation for 3-ethyl-1-methyl-1,3-diazinan-4-one?
The canonical SMILES for 3-ethyl-1-methyl-1,3-diazinan-4-one is CCN1CN(C)CCC1=O.
What is the InChIKey of 3-ethyl-1-methyl-1,3-diazinan-4-one?
The InChIKey is BTZPGWHAENVISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-9-6-8(2)5-4-7(9)10/h3-6H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-1,3-diazinan-4-one?
3-ethyl-1-methyl-1,3-diazinan-4-one has a molecular weight of 142.20 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 22323499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).