5-(methoxymethyl)-1,3-diazinane

C6H14N2O — CID 90715874

IUPAC5-(methoxymethyl)-1,3-diazinane
SMILESCOCC1CNCNC1
InChIInChI=1S/C6H14N2O/c1-9-4-6-2-7-5-8-3-6/h6-8H,2-5H2,1H3
InChIKeyCOHUIUXUYQPJQM-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.60
Rot. Bonds2

About 5-(methoxymethyl)-1,3-diazinane

5-(methoxymethyl)-1,3-diazinane (PubChem CID 90715874) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,3-diazinane.

Molecular Properties

Compound Name5-(methoxymethyl)-1,3-diazinane
PubChem CID90715874
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name5-(methoxymethyl)-1,3-diazinane
SMILESCOCC1CNCNC1
InChIInChI=1S/C6H14N2O/c1-9-4-6-2-7-5-8-3-6/h6-8H,2-5H2,1H3
InChIKeyCOHUIUXUYQPJQM-UHFFFAOYSA-N
XLogP-0.60
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1,3-diazinane?
The IUPAC name of 5-(methoxymethyl)-1,3-diazinane (CID 90715874) is 5-(methoxymethyl)-1,3-diazinane.
What is the SMILES notation for 5-(methoxymethyl)-1,3-diazinane?
The canonical SMILES for 5-(methoxymethyl)-1,3-diazinane is COCC1CNCNC1.
What is the InChIKey of 5-(methoxymethyl)-1,3-diazinane?
The InChIKey is COHUIUXUYQPJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-9-4-6-2-7-5-8-3-6/h6-8H,2-5H2,1H3.
What are the key properties of 5-(methoxymethyl)-1,3-diazinane?
5-(methoxymethyl)-1,3-diazinane has a molecular weight of 130.19 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1,3-diazinane is sourced from PubChem (CID 90715874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).