2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol

C8H17NO4 — CID 91390679

IUPAC2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol
SMILESCNCC1OC(C)C(O)C(O)C1O
InChIInChI=1S/C8H17NO4/c1-4-6(10)8(12)7(11)5(13-4)3-9-2/h4-12H,3H2,1-2H3
InChIKeyANOVFARYALQEDY-UHFFFAOYSA-N
MW191.23 g/mol
LogP-1.92
Rot. Bonds2

About 2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol

2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol (PubChem CID 91390679) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol
PubChem CID91390679
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol
SMILESCNCC1OC(C)C(O)C(O)C1O
InChIInChI=1S/C8H17NO4/c1-4-6(10)8(12)7(11)5(13-4)3-9-2/h4-12H,3H2,1-2H3
InChIKeyANOVFARYALQEDY-UHFFFAOYSA-N
XLogP-1.92
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
2-methyl-6-(sulfanylmethyl)oxane-3,4,5-triol
CID 59680726
actinium;(3R,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59934625
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(2R,3S,4R,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59834182
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59996451
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol?
The IUPAC name of 2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol (CID 91390679) is 2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol is CNCC1OC(C)C(O)C(O)C1O.
What is the InChIKey of 2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol?
The InChIKey is ANOVFARYALQEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-4-6(10)8(12)7(11)5(13-4)3-9-2/h4-12H,3H2,1-2H3.
What are the key properties of 2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol?
2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol has a molecular weight of 191.23 g/mol, XLogP of -1.92, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol is sourced from PubChem (CID 91390679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).