2-(aminomethyl)-6-(3-hydroxy-2-methylpropoxy)-5-methyloxane-3,4-diol

C11H23NO5 — CID 123441518

IUPAC2-(aminomethyl)-6-(3-hydroxy-2-methylpropoxy)-5-methyloxane-3,4-diol
SMILESCC(CO)COC1OC(CN)C(O)C(O)C1C
InChIInChI=1S/C11H23NO5/c1-6(4-13)5-16-11-7(2)9(14)10(15)8(3-12)17-11/h6-11,13-15H,3-5,12H2,1-2H3
InChIKeyFPANXUXBPYVCDF-UHFFFAOYSA-N
MW249.31 g/mol
LogP-1.33
Rot. Bonds5

About 2-(aminomethyl)-6-(3-hydroxy-2-methylpropoxy)-5-methyloxane-3,4-diol

2-(aminomethyl)-6-(3-hydroxy-2-methylpropoxy)-5-methyloxane-3,4-diol (PubChem CID 123441518) has the molecular formula C11H23NO5 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(3-hydroxy-2-methylpropoxy)-5-methyloxane-3,4-diol.

Molecular Properties

Compound Name2-(aminomethyl)-6-(3-hydroxy-2-methylpropoxy)-5-methyloxane-3,4-diol
PubChem CID123441518
Molecular FormulaC11H23NO5
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Name2-(aminomethyl)-6-(3-hydroxy-2-methylpropoxy)-5-methyloxane-3,4-diol
SMILESCC(CO)COC1OC(CN)C(O)C(O)C1C
InChIInChI=1S/C11H23NO5/c1-6(4-13)5-16-11-7(2)9(14)10(15)8(3-12)17-11/h6-11,13-15H,3-5,12H2,1-2H3
InChIKeyFPANXUXBPYVCDF-UHFFFAOYSA-N
XLogP-1.33
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-(3-hydroxy-2-methylpropoxy)-5-methyloxane-3,4-diol?
The IUPAC name of 2-(aminomethyl)-6-(3-hydroxy-2-methylpropoxy)-5-methyloxane-3,4-diol (CID 123441518) is 2-(aminomethyl)-6-(3-hydroxy-2-methylpropoxy)-5-methyloxane-3,4-diol.
What is the SMILES notation for 2-(aminomethyl)-6-(3-hydroxy-2-methylpropoxy)-5-methyloxane-3,4-diol?
The canonical SMILES for 2-(aminomethyl)-6-(3-hydroxy-2-methylpropoxy)-5-methyloxane-3,4-diol is CC(CO)COC1OC(CN)C(O)C(O)C1C.
What is the InChIKey of 2-(aminomethyl)-6-(3-hydroxy-2-methylpropoxy)-5-methyloxane-3,4-diol?
The InChIKey is FPANXUXBPYVCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5/c1-6(4-13)5-16-11-7(2)9(14)10(15)8(3-12)17-11/h6-11,13-15H,3-5,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-6-(3-hydroxy-2-methylpropoxy)-5-methyloxane-3,4-diol?
2-(aminomethyl)-6-(3-hydroxy-2-methylpropoxy)-5-methyloxane-3,4-diol has a molecular weight of 249.31 g/mol, XLogP of -1.33, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-(3-hydroxy-2-methylpropoxy)-5-methyloxane-3,4-diol is sourced from PubChem (CID 123441518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).