[4-(2,2-dimethylpropylamino)oxan-4-yl]methanol

C11H23NO2 — CID 106297058

IUPAC[4-(2,2-dimethylpropylamino)oxan-4-yl]methanol
SMILESCC(C)(C)CNC1(CO)CCOCC1
InChIInChI=1S/C11H23NO2/c1-10(2,3)8-12-11(9-13)4-6-14-7-5-11/h12-13H,4-9H2,1-3H3
InChIKeyZTBAKDRBVIJAMF-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.16
Rot. Bonds3

About [4-(2,2-dimethylpropylamino)oxan-4-yl]methanol

[4-(2,2-dimethylpropylamino)oxan-4-yl]methanol (PubChem CID 106297058) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is [4-(2,2-dimethylpropylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(2,2-dimethylpropylamino)oxan-4-yl]methanol
PubChem CID106297058
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name[4-(2,2-dimethylpropylamino)oxan-4-yl]methanol
SMILESCC(C)(C)CNC1(CO)CCOCC1
InChIInChI=1S/C11H23NO2/c1-10(2,3)8-12-11(9-13)4-6-14-7-5-11/h12-13H,4-9H2,1-3H3
InChIKeyZTBAKDRBVIJAMF-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethylpropylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(2,2-dimethylpropylamino)oxan-4-yl]methanol (CID 106297058) is [4-(2,2-dimethylpropylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(2,2-dimethylpropylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(2,2-dimethylpropylamino)oxan-4-yl]methanol is CC(C)(C)CNC1(CO)CCOCC1.
What is the InChIKey of [4-(2,2-dimethylpropylamino)oxan-4-yl]methanol?
The InChIKey is ZTBAKDRBVIJAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2,3)8-12-11(9-13)4-6-14-7-5-11/h12-13H,4-9H2,1-3H3.
What are the key properties of [4-(2,2-dimethylpropylamino)oxan-4-yl]methanol?
[4-(2,2-dimethylpropylamino)oxan-4-yl]methanol has a molecular weight of 201.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethylpropylamino)oxan-4-yl]methanol is sourced from PubChem (CID 106297058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).