1,3-dimethoxy-2-(methoxymethyl)-N-methylpropan-2-amine

C8H19NO3 — CID 58936721

IUPAC1,3-dimethoxy-2-(methoxymethyl)-N-methylpropan-2-amine
SMILESCNC(COC)(COC)COC
InChIInChI=1S/C8H19NO3/c1-9-8(5-10-2,6-11-3)7-12-4/h9H,5-7H2,1-4H3
InChIKeySPYDWSGGIWMLSI-UHFFFAOYSA-N
MW177.24 g/mol
LogP-0.12
Rot. Bonds7

About 1,3-dimethoxy-2-(methoxymethyl)-N-methylpropan-2-amine

1,3-dimethoxy-2-(methoxymethyl)-N-methylpropan-2-amine (PubChem CID 58936721) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 1,3-dimethoxy-2-(methoxymethyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1,3-dimethoxy-2-(methoxymethyl)-N-methylpropan-2-amine
PubChem CID58936721
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name1,3-dimethoxy-2-(methoxymethyl)-N-methylpropan-2-amine
SMILESCNC(COC)(COC)COC
InChIInChI=1S/C8H19NO3/c1-9-8(5-10-2,6-11-3)7-12-4/h9H,5-7H2,1-4H3
InChIKeySPYDWSGGIWMLSI-UHFFFAOYSA-N
XLogP-0.12
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-(methoxymethyl)-N-methylpropan-2-amine?
The IUPAC name of 1,3-dimethoxy-2-(methoxymethyl)-N-methylpropan-2-amine (CID 58936721) is 1,3-dimethoxy-2-(methoxymethyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1,3-dimethoxy-2-(methoxymethyl)-N-methylpropan-2-amine?
The canonical SMILES for 1,3-dimethoxy-2-(methoxymethyl)-N-methylpropan-2-amine is CNC(COC)(COC)COC.
What is the InChIKey of 1,3-dimethoxy-2-(methoxymethyl)-N-methylpropan-2-amine?
The InChIKey is SPYDWSGGIWMLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3/c1-9-8(5-10-2,6-11-3)7-12-4/h9H,5-7H2,1-4H3.
What are the key properties of 1,3-dimethoxy-2-(methoxymethyl)-N-methylpropan-2-amine?
1,3-dimethoxy-2-(methoxymethyl)-N-methylpropan-2-amine has a molecular weight of 177.24 g/mol, XLogP of -0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-(methoxymethyl)-N-methylpropan-2-amine is sourced from PubChem (CID 58936721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).