6-tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol

C12H25NO2 — CID 59817360

IUPAC6-tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol
SMILESCNC1C(C)OC(C(C)(C)C)CC1(C)O
InChIInChI=1S/C12H25NO2/c1-8-10(13-6)12(5,14)7-9(15-8)11(2,3)4/h8-10,13-14H,7H2,1-6H3
InChIKeyLCARPAZKVHRBNG-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds1

About 6-tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol

6-tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol (PubChem CID 59817360) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 6-tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol.

Molecular Properties

Compound Name6-tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol
PubChem CID59817360
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name6-tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol
SMILESCNC1C(C)OC(C(C)(C)C)CC1(C)O
InChIInChI=1S/C12H25NO2/c1-8-10(13-6)12(5,14)7-9(15-8)11(2,3)4/h8-10,13-14H,7H2,1-6H3
InChIKeyLCARPAZKVHRBNG-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol?
The IUPAC name of 6-tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol (CID 59817360) is 6-tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol.
What is the SMILES notation for 6-tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol?
The canonical SMILES for 6-tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol is CNC1C(C)OC(C(C)(C)C)CC1(C)O.
What is the InChIKey of 6-tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol?
The InChIKey is LCARPAZKVHRBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-8-10(13-6)12(5,14)7-9(15-8)11(2,3)4/h8-10,13-14H,7H2,1-6H3.
What are the key properties of 6-tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol?
6-tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol is sourced from PubChem (CID 59817360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).