5-amino-2,3,5-trimethyloxan-4-ol

C8H17NO2 — CID 166667584

IUPAC5-amino-2,3,5-trimethyloxan-4-ol
SMILESCC1OCC(C)(N)C(O)C1C
InChIInChI=1S/C8H17NO2/c1-5-6(2)11-4-8(3,9)7(5)10/h5-7,10H,4,9H2,1-3H3
InChIKeyXTRAZJBRMXHCGL-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.12
Rot. Bonds

About 5-amino-2,3,5-trimethyloxan-4-ol

5-amino-2,3,5-trimethyloxan-4-ol (PubChem CID 166667584) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-amino-2,3,5-trimethyloxan-4-ol.

Molecular Properties

Compound Name5-amino-2,3,5-trimethyloxan-4-ol
PubChem CID166667584
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name5-amino-2,3,5-trimethyloxan-4-ol
SMILESCC1OCC(C)(N)C(O)C1C
InChIInChI=1S/C8H17NO2/c1-5-6(2)11-4-8(3,9)7(5)10/h5-7,10H,4,9H2,1-3H3
InChIKeyXTRAZJBRMXHCGL-UHFFFAOYSA-N
XLogP0.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3,5-trimethyloxan-4-ol?
The IUPAC name of 5-amino-2,3,5-trimethyloxan-4-ol (CID 166667584) is 5-amino-2,3,5-trimethyloxan-4-ol.
What is the SMILES notation for 5-amino-2,3,5-trimethyloxan-4-ol?
The canonical SMILES for 5-amino-2,3,5-trimethyloxan-4-ol is CC1OCC(C)(N)C(O)C1C.
What is the InChIKey of 5-amino-2,3,5-trimethyloxan-4-ol?
The InChIKey is XTRAZJBRMXHCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-6(2)11-4-8(3,9)7(5)10/h5-7,10H,4,9H2,1-3H3.
What are the key properties of 5-amino-2,3,5-trimethyloxan-4-ol?
5-amino-2,3,5-trimethyloxan-4-ol has a molecular weight of 159.23 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3,5-trimethyloxan-4-ol is sourced from PubChem (CID 166667584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).