1,3-bis(methoxymethyl)-2-methylidene-1,3,5-triazinane

C8H17N3O2 — CID 89197973

IUPAC1,3-bis(methoxymethyl)-2-methylidene-1,3,5-triazinane
SMILESC=C1N(COC)CNCN1COC
InChIInChI=1S/C8H17N3O2/c1-8-10(6-12-2)4-9-5-11(8)7-13-3/h9H,1,4-7H2,2-3H3
InChIKeyUQBQREDGMALPFB-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.21
Rot. Bonds4

About 1,3-bis(methoxymethyl)-2-methylidene-1,3,5-triazinane

1,3-bis(methoxymethyl)-2-methylidene-1,3,5-triazinane (PubChem CID 89197973) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1,3-bis(methoxymethyl)-2-methylidene-1,3,5-triazinane.

Molecular Properties

Compound Name1,3-bis(methoxymethyl)-2-methylidene-1,3,5-triazinane
PubChem CID89197973
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name1,3-bis(methoxymethyl)-2-methylidene-1,3,5-triazinane
SMILESC=C1N(COC)CNCN1COC
InChIInChI=1S/C8H17N3O2/c1-8-10(6-12-2)4-9-5-11(8)7-13-3/h9H,1,4-7H2,2-3H3
InChIKeyUQBQREDGMALPFB-UHFFFAOYSA-N
XLogP-0.21
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(methoxymethyl)-2-methylidene-1,3,5-triazinane?
The IUPAC name of 1,3-bis(methoxymethyl)-2-methylidene-1,3,5-triazinane (CID 89197973) is 1,3-bis(methoxymethyl)-2-methylidene-1,3,5-triazinane.
What is the SMILES notation for 1,3-bis(methoxymethyl)-2-methylidene-1,3,5-triazinane?
The canonical SMILES for 1,3-bis(methoxymethyl)-2-methylidene-1,3,5-triazinane is C=C1N(COC)CNCN1COC.
What is the InChIKey of 1,3-bis(methoxymethyl)-2-methylidene-1,3,5-triazinane?
The InChIKey is UQBQREDGMALPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-8-10(6-12-2)4-9-5-11(8)7-13-3/h9H,1,4-7H2,2-3H3.
What are the key properties of 1,3-bis(methoxymethyl)-2-methylidene-1,3,5-triazinane?
1,3-bis(methoxymethyl)-2-methylidene-1,3,5-triazinane has a molecular weight of 187.24 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(methoxymethyl)-2-methylidene-1,3,5-triazinane is sourced from PubChem (CID 89197973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).