3-methyl-6-propan-2-yl-1,3-diazinane-2,4-dione;propane

C11H22N2O2 — CID 158596187

IUPAC3-methyl-6-propan-2-yl-1,3-diazinane-2,4-dione;propane
SMILESCC(C)C1CC(=O)N(C)C(=O)N1.CCC
InChIInChI=1S/C8H14N2O2.C3H8/c1-5(2)6-4-7(11)10(3)8(12)9-6;1-3-2/h5-6H,4H2,1-3H3,(H,9,12);3H2,1-2H3
InChIKeyHVBASKDLXNYYKP-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.00
Rot. Bonds1

About 3-methyl-6-propan-2-yl-1,3-diazinane-2,4-dione;propane

3-methyl-6-propan-2-yl-1,3-diazinane-2,4-dione;propane (PubChem CID 158596187) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-1,3-diazinane-2,4-dione;propane.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-1,3-diazinane-2,4-dione;propane
PubChem CID158596187
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-methyl-6-propan-2-yl-1,3-diazinane-2,4-dione;propane
SMILESCC(C)C1CC(=O)N(C)C(=O)N1.CCC
InChIInChI=1S/C8H14N2O2.C3H8/c1-5(2)6-4-7(11)10(3)8(12)9-6;1-3-2/h5-6H,4H2,1-3H3,(H,9,12);3H2,1-2H3
InChIKeyHVBASKDLXNYYKP-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-1,3-diazinane-2,4-dione;propane?
The IUPAC name of 3-methyl-6-propan-2-yl-1,3-diazinane-2,4-dione;propane (CID 158596187) is 3-methyl-6-propan-2-yl-1,3-diazinane-2,4-dione;propane.
What is the SMILES notation for 3-methyl-6-propan-2-yl-1,3-diazinane-2,4-dione;propane?
The canonical SMILES for 3-methyl-6-propan-2-yl-1,3-diazinane-2,4-dione;propane is CC(C)C1CC(=O)N(C)C(=O)N1.CCC.
What is the InChIKey of 3-methyl-6-propan-2-yl-1,3-diazinane-2,4-dione;propane?
The InChIKey is HVBASKDLXNYYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C3H8/c1-5(2)6-4-7(11)10(3)8(12)9-6;1-3-2/h5-6H,4H2,1-3H3,(H,9,12);3H2,1-2H3.
What are the key properties of 3-methyl-6-propan-2-yl-1,3-diazinane-2,4-dione;propane?
3-methyl-6-propan-2-yl-1,3-diazinane-2,4-dione;propane has a molecular weight of 214.31 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-1,3-diazinane-2,4-dione;propane is sourced from PubChem (CID 158596187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).