2-tert-butyl-1,3-diazinan-5-one

C8H16N2O — CID 57006338

IUPAC2-tert-butyl-1,3-diazinan-5-one
SMILESCC(C)(C)C1NCC(=O)CN1
InChIInChI=1S/C8H16N2O/c1-8(2,3)7-9-4-6(11)5-10-7/h7,9-10H,4-5H2,1-3H3
InChIKeyIRDZBXIXYZHFCW-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.12
Rot. Bonds

About 2-tert-butyl-1,3-diazinan-5-one

2-tert-butyl-1,3-diazinan-5-one (PubChem CID 57006338) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-tert-butyl-1,3-diazinan-5-one.

Molecular Properties

Compound Name2-tert-butyl-1,3-diazinan-5-one
PubChem CID57006338
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-tert-butyl-1,3-diazinan-5-one
SMILESCC(C)(C)C1NCC(=O)CN1
InChIInChI=1S/C8H16N2O/c1-8(2,3)7-9-4-6(11)5-10-7/h7,9-10H,4-5H2,1-3H3
InChIKeyIRDZBXIXYZHFCW-UHFFFAOYSA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-diazinan-5-one?
The IUPAC name of 2-tert-butyl-1,3-diazinan-5-one (CID 57006338) is 2-tert-butyl-1,3-diazinan-5-one.
What is the SMILES notation for 2-tert-butyl-1,3-diazinan-5-one?
The canonical SMILES for 2-tert-butyl-1,3-diazinan-5-one is CC(C)(C)C1NCC(=O)CN1.
What is the InChIKey of 2-tert-butyl-1,3-diazinan-5-one?
The InChIKey is IRDZBXIXYZHFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2,3)7-9-4-6(11)5-10-7/h7,9-10H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-1,3-diazinan-5-one?
2-tert-butyl-1,3-diazinan-5-one has a molecular weight of 156.23 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-diazinan-5-one is sourced from PubChem (CID 57006338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).