4-methyl-4-propan-2-yl-1,3-diazinan-2-one

C8H16N2O — CID 105430538

IUPAC4-methyl-4-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)C1(C)CCNC(=O)N1
InChIInChI=1S/C8H16N2O/c1-6(2)8(3)4-5-9-7(11)10-8/h6H,4-5H2,1-3H3,(H2,9,10,11)
InChIKeyBIFBESODDKCHBF-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.10
Rot. Bonds1

About 4-methyl-4-propan-2-yl-1,3-diazinan-2-one

4-methyl-4-propan-2-yl-1,3-diazinan-2-one (PubChem CID 105430538) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-methyl-4-propan-2-yl-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-methyl-4-propan-2-yl-1,3-diazinan-2-one
PubChem CID105430538
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-methyl-4-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)C1(C)CCNC(=O)N1
InChIInChI=1S/C8H16N2O/c1-6(2)8(3)4-5-9-7(11)10-8/h6H,4-5H2,1-3H3,(H2,9,10,11)
InChIKeyBIFBESODDKCHBF-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propan-2-yl-1,3-diazinan-2-one?
The IUPAC name of 4-methyl-4-propan-2-yl-1,3-diazinan-2-one (CID 105430538) is 4-methyl-4-propan-2-yl-1,3-diazinan-2-one.
What is the SMILES notation for 4-methyl-4-propan-2-yl-1,3-diazinan-2-one?
The canonical SMILES for 4-methyl-4-propan-2-yl-1,3-diazinan-2-one is CC(C)C1(C)CCNC(=O)N1.
What is the InChIKey of 4-methyl-4-propan-2-yl-1,3-diazinan-2-one?
The InChIKey is BIFBESODDKCHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)8(3)4-5-9-7(11)10-8/h6H,4-5H2,1-3H3,(H2,9,10,11).
What are the key properties of 4-methyl-4-propan-2-yl-1,3-diazinan-2-one?
4-methyl-4-propan-2-yl-1,3-diazinan-2-one has a molecular weight of 156.23 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propan-2-yl-1,3-diazinan-2-one is sourced from PubChem (CID 105430538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).