[(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol

C10H21NO2 — CID 177078681

IUPAC[(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol
SMILESCC(C)(C)N[C@@H]1CC[C@@H](CO)OC1
InChIInChI=1S/C10H21NO2/c1-10(2,3)11-8-4-5-9(6-12)13-7-8/h8-9,11-12H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyVAZWOIISBHKGRG-BDAKNGLRSA-N
MW187.28 g/mol
LogP0.91
Rot. Bonds2

About [(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol

[(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol (PubChem CID 177078681) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is [(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol
PubChem CID177078681
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name[(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol
SMILESCC(C)(C)N[C@@H]1CC[C@@H](CO)OC1
InChIInChI=1S/C10H21NO2/c1-10(2,3)11-8-4-5-9(6-12)13-7-8/h8-9,11-12H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyVAZWOIISBHKGRG-BDAKNGLRSA-N
XLogP0.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol (CID 177078681) is [(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol is CC(C)(C)N[C@@H]1CC[C@@H](CO)OC1.
What is the InChIKey of [(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol?
The InChIKey is VAZWOIISBHKGRG-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)11-8-4-5-9(6-12)13-7-8/h8-9,11-12H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of [(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol?
[(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol has a molecular weight of 187.28 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol is sourced from PubChem (CID 177078681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).