4-methyl-5-(methylamino)oxane-3,4-diol

C7H15NO3 — CID 123418562

IUPAC4-methyl-5-(methylamino)oxane-3,4-diol
SMILESCNC1COCC(O)C1(C)O
InChIInChI=1S/C7H15NO3/c1-7(10)5(8-2)3-11-4-6(7)9/h5-6,8-10H,3-4H2,1-2H3
InChIKeyJNWANWOYERRUNC-UHFFFAOYSA-N
MW161.20 g/mol
LogP-1.28
Rot. Bonds1

About 4-methyl-5-(methylamino)oxane-3,4-diol

4-methyl-5-(methylamino)oxane-3,4-diol (PubChem CID 123418562) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-methyl-5-(methylamino)oxane-3,4-diol.

Molecular Properties

Compound Name4-methyl-5-(methylamino)oxane-3,4-diol
PubChem CID123418562
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name4-methyl-5-(methylamino)oxane-3,4-diol
SMILESCNC1COCC(O)C1(C)O
InChIInChI=1S/C7H15NO3/c1-7(10)5(8-2)3-11-4-6(7)9/h5-6,8-10H,3-4H2,1-2H3
InChIKeyJNWANWOYERRUNC-UHFFFAOYSA-N
XLogP-1.28
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylamino)oxane-3,4-diol?
The IUPAC name of 4-methyl-5-(methylamino)oxane-3,4-diol (CID 123418562) is 4-methyl-5-(methylamino)oxane-3,4-diol.
What is the SMILES notation for 4-methyl-5-(methylamino)oxane-3,4-diol?
The canonical SMILES for 4-methyl-5-(methylamino)oxane-3,4-diol is CNC1COCC(O)C1(C)O.
What is the InChIKey of 4-methyl-5-(methylamino)oxane-3,4-diol?
The InChIKey is JNWANWOYERRUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(10)5(8-2)3-11-4-6(7)9/h5-6,8-10H,3-4H2,1-2H3.
What are the key properties of 4-methyl-5-(methylamino)oxane-3,4-diol?
4-methyl-5-(methylamino)oxane-3,4-diol has a molecular weight of 161.20 g/mol, XLogP of -1.28, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylamino)oxane-3,4-diol is sourced from PubChem (CID 123418562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).