1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-2-ol

C8H19NO2 — CID 60884434

IUPAC1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNC(C)(C)CO
InChIInChI=1S/C8H19NO2/c1-7(2,6-10)9-5-8(3,4)11/h9-11H,5-6H2,1-4H3
InChIKeyXTWFWUOIAVGSFY-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.12
Rot. Bonds4

About 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-2-ol

1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-2-ol (PubChem CID 60884434) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-2-ol
PubChem CID60884434
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNC(C)(C)CO
InChIInChI=1S/C8H19NO2/c1-7(2,6-10)9-5-8(3,4)11/h9-11H,5-6H2,1-4H3
InChIKeyXTWFWUOIAVGSFY-UHFFFAOYSA-N
XLogP0.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-2-ol (CID 60884434) is 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-2-ol is CC(C)(O)CNC(C)(C)CO.
What is the InChIKey of 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-2-ol?
The InChIKey is XTWFWUOIAVGSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(2,6-10)9-5-8(3,4)11/h9-11H,5-6H2,1-4H3.
What are the key properties of 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-2-ol?
1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-2-ol has a molecular weight of 161.25 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 60884434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).