1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane

C11H24N2O — CID 71100466

IUPAC1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane
SMILESCN1CC(COC(C)(C)C)CN(C)C1
InChIInChI=1S/C11H24N2O/c1-11(2,3)14-8-10-6-12(4)9-13(5)7-10/h10H,6-9H2,1-5H3
InChIKeyKZJAGALGIXIGSS-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.25
Rot. Bonds2

About 1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane

1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane (PubChem CID 71100466) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane.

Molecular Properties

Compound Name1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane
PubChem CID71100466
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane
SMILESCN1CC(COC(C)(C)C)CN(C)C1
InChIInChI=1S/C11H24N2O/c1-11(2,3)14-8-10-6-12(4)9-13(5)7-10/h10H,6-9H2,1-5H3
InChIKeyKZJAGALGIXIGSS-UHFFFAOYSA-N
XLogP1.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane?
The IUPAC name of 1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane (CID 71100466) is 1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane.
What is the SMILES notation for 1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane?
The canonical SMILES for 1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane is CN1CC(COC(C)(C)C)CN(C)C1.
What is the InChIKey of 1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane?
The InChIKey is KZJAGALGIXIGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,3)14-8-10-6-12(4)9-13(5)7-10/h10H,6-9H2,1-5H3.
What are the key properties of 1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane?
1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane has a molecular weight of 200.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane is sourced from PubChem (CID 71100466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).