3-(tert-butylamino)-8-methoxy-2,6-dimethyloctan-2-ol

C15H33NO2 — CID 12624459

IUPAC3-(tert-butylamino)-8-methoxy-2,6-dimethyloctan-2-ol
SMILESCOCCC(C)CCC(NC(C)(C)C)C(C)(C)O
InChIInChI=1S/C15H33NO2/c1-12(10-11-18-7)8-9-13(15(5,6)17)16-14(2,3)4/h12-13,16-17H,8-11H2,1-7H3
InChIKeyMAHRTELFFIRODZ-UHFFFAOYSA-N
MW259.43 g/mol
LogP2.97
Rot. Bonds8

About 3-(tert-butylamino)-8-methoxy-2,6-dimethyloctan-2-ol

3-(tert-butylamino)-8-methoxy-2,6-dimethyloctan-2-ol (PubChem CID 12624459) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 3-(tert-butylamino)-8-methoxy-2,6-dimethyloctan-2-ol.

Molecular Properties

Compound Name3-(tert-butylamino)-8-methoxy-2,6-dimethyloctan-2-ol
PubChem CID12624459
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name3-(tert-butylamino)-8-methoxy-2,6-dimethyloctan-2-ol
SMILESCOCCC(C)CCC(NC(C)(C)C)C(C)(C)O
InChIInChI=1S/C15H33NO2/c1-12(10-11-18-7)8-9-13(15(5,6)17)16-14(2,3)4/h12-13,16-17H,8-11H2,1-7H3
InChIKeyMAHRTELFFIRODZ-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-8-methoxy-2,6-dimethyloctan-2-ol?
The IUPAC name of 3-(tert-butylamino)-8-methoxy-2,6-dimethyloctan-2-ol (CID 12624459) is 3-(tert-butylamino)-8-methoxy-2,6-dimethyloctan-2-ol.
What is the SMILES notation for 3-(tert-butylamino)-8-methoxy-2,6-dimethyloctan-2-ol?
The canonical SMILES for 3-(tert-butylamino)-8-methoxy-2,6-dimethyloctan-2-ol is COCCC(C)CCC(NC(C)(C)C)C(C)(C)O.
What is the InChIKey of 3-(tert-butylamino)-8-methoxy-2,6-dimethyloctan-2-ol?
The InChIKey is MAHRTELFFIRODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-12(10-11-18-7)8-9-13(15(5,6)17)16-14(2,3)4/h12-13,16-17H,8-11H2,1-7H3.
What are the key properties of 3-(tert-butylamino)-8-methoxy-2,6-dimethyloctan-2-ol?
3-(tert-butylamino)-8-methoxy-2,6-dimethyloctan-2-ol has a molecular weight of 259.43 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-8-methoxy-2,6-dimethyloctan-2-ol is sourced from PubChem (CID 12624459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).