2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine

C12H25NO5 — CID 568194

IUPAC2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine
SMILESCOCC1OC(OC)C(N(C)C)C(OC)C1OC
InChIInChI=1S/C12H25NO5/c1-13(2)9-11(16-5)10(15-4)8(7-14-3)18-12(9)17-6/h8-12H,7H2,1-6H3
InChIKeyZIWPWLYSICXMNN-UHFFFAOYSA-N
MW263.33 g/mol
LogP-0.04
Rot. Bonds6

About 2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine

2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine (PubChem CID 568194) has the molecular formula C12H25NO5 and a molecular weight of 263.33 g/mol. Its IUPAC name is 2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine.

Molecular Properties

Compound Name2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine
PubChem CID568194
Molecular FormulaC12H25NO5
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine
SMILESCOCC1OC(OC)C(N(C)C)C(OC)C1OC
InChIInChI=1S/C12H25NO5/c1-13(2)9-11(16-5)10(15-4)8(7-14-3)18-12(9)17-6/h8-12H,7H2,1-6H3
InChIKeyZIWPWLYSICXMNN-UHFFFAOYSA-N
XLogP-0.04
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(2R,3R,4R,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide
CID 11130066
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
[3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate
CID 575303
(3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine
CID 24804009
3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 91701485
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798414
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798413
(2R,3R,4S,5R,6R)-3,5-dimethoxy-2-(methoxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 24744907
(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
(2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane
CID 176646378
(2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane
CID 91752301
[(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate
CID 14447784

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine?
The IUPAC name of 2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine (CID 568194) is 2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine.
What is the SMILES notation for 2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine?
The canonical SMILES for 2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine is COCC1OC(OC)C(N(C)C)C(OC)C1OC.
What is the InChIKey of 2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine?
The InChIKey is ZIWPWLYSICXMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5/c1-13(2)9-11(16-5)10(15-4)8(7-14-3)18-12(9)17-6/h8-12H,7H2,1-6H3.
What are the key properties of 2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine?
2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine has a molecular weight of 263.33 g/mol, XLogP of -0.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine is sourced from PubChem (CID 568194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).