3-(methylamino)oxan-4-ol

C6H13NO2 — CID 55287171

IUPAC3-(methylamino)oxan-4-ol
SMILESCNC1COCCC1O
InChIInChI=1S/C6H13NO2/c1-7-5-4-9-3-2-6(5)8/h5-8H,2-4H2,1H3
InChIKeyDCEACNADOKDVBB-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.64
Rot. Bonds1

About 3-(methylamino)oxan-4-ol

3-(methylamino)oxan-4-ol (PubChem CID 55287171) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-(methylamino)oxan-4-ol.

Molecular Properties

Compound Name3-(methylamino)oxan-4-ol
PubChem CID55287171
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name3-(methylamino)oxan-4-ol
SMILESCNC1COCCC1O
InChIInChI=1S/C6H13NO2/c1-7-5-4-9-3-2-6(5)8/h5-8H,2-4H2,1H3
InChIKeyDCEACNADOKDVBB-UHFFFAOYSA-N
XLogP-0.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)oxan-4-ol?
The IUPAC name of 3-(methylamino)oxan-4-ol (CID 55287171) is 3-(methylamino)oxan-4-ol.
What is the SMILES notation for 3-(methylamino)oxan-4-ol?
The canonical SMILES for 3-(methylamino)oxan-4-ol is CNC1COCCC1O.
What is the InChIKey of 3-(methylamino)oxan-4-ol?
The InChIKey is DCEACNADOKDVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-5-4-9-3-2-6(5)8/h5-8H,2-4H2,1H3.
What are the key properties of 3-(methylamino)oxan-4-ol?
3-(methylamino)oxan-4-ol has a molecular weight of 131.18 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)oxan-4-ol is sourced from PubChem (CID 55287171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).