4-[1-(tert-butylamino)-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol

C13H29NO2 — CID 155033000

IUPAC4-[1-(tert-butylamino)-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol
SMILESCC(C)(O)CCOC(C)(C)CNC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-11(2,3)14-10-13(6,7)16-9-8-12(4,5)15/h14-15H,8-10H2,1-7H3
InChIKeyAHYMMBDSMSJFEV-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.33
Rot. Bonds6

About 4-[1-(tert-butylamino)-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol

4-[1-(tert-butylamino)-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol (PubChem CID 155033000) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-[1-(tert-butylamino)-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[1-(tert-butylamino)-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol
PubChem CID155033000
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name4-[1-(tert-butylamino)-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol
SMILESCC(C)(O)CCOC(C)(C)CNC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-11(2,3)14-10-13(6,7)16-9-8-12(4,5)15/h14-15H,8-10H2,1-7H3
InChIKeyAHYMMBDSMSJFEV-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(tert-butylamino)-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol?
The IUPAC name of 4-[1-(tert-butylamino)-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol (CID 155033000) is 4-[1-(tert-butylamino)-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol.
What is the SMILES notation for 4-[1-(tert-butylamino)-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol?
The canonical SMILES for 4-[1-(tert-butylamino)-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol is CC(C)(O)CCOC(C)(C)CNC(C)(C)C.
What is the InChIKey of 4-[1-(tert-butylamino)-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol?
The InChIKey is AHYMMBDSMSJFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-11(2,3)14-10-13(6,7)16-9-8-12(4,5)15/h14-15H,8-10H2,1-7H3.
What are the key properties of 4-[1-(tert-butylamino)-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol?
4-[1-(tert-butylamino)-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol has a molecular weight of 231.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(tert-butylamino)-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol is sourced from PubChem (CID 155033000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).