1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one

C14H27NO2 — CID 58256882

IUPAC1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)NC1(C(=O)C(C)(C)C)CCCOC1
InChIInChI=1S/C14H27NO2/c1-12(2,3)11(16)14(15-13(4,5)6)8-7-9-17-10-14/h15H,7-10H2,1-6H3
InChIKeyPGVLXKULYSWWJO-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.54
Rot. Bonds2

About 1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one

1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one (PubChem CID 58256882) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one
PubChem CID58256882
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)NC1(C(=O)C(C)(C)C)CCCOC1
InChIInChI=1S/C14H27NO2/c1-12(2,3)11(16)14(15-13(4,5)6)8-7-9-17-10-14/h15H,7-10H2,1-6H3
InChIKeyPGVLXKULYSWWJO-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one (CID 58256882) is 1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one is CC(C)(C)NC1(C(=O)C(C)(C)C)CCCOC1.
What is the InChIKey of 1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one?
The InChIKey is PGVLXKULYSWWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2,3)11(16)14(15-13(4,5)6)8-7-9-17-10-14/h15H,7-10H2,1-6H3.
What are the key properties of 1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one?
1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58256882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).