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

C8H19NO2 — CID 13131208

IUPAC2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NC(C)(C)CO
InChIInChI=1S/C8H19NO2/c1-7(2,5-10)9-8(3,4)6-11/h9-11H,5-6H2,1-4H3
InChIKeyVJIFGYXJOCIGNH-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.12
Rot. Bonds4

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

2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-1-ol (PubChem CID 13131208) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-1-ol
PubChem CID13131208
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NC(C)(C)CO
InChIInChI=1S/C8H19NO2/c1-7(2,5-10)9-8(3,4)6-11/h9-11H,5-6H2,1-4H3
InChIKeyVJIFGYXJOCIGNH-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-1-ol (CID 13131208) is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-1-ol is CC(C)(CO)NC(C)(C)CO.
What is the InChIKey of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-1-ol?
The InChIKey is VJIFGYXJOCIGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(2,5-10)9-8(3,4)6-11/h9-11H,5-6H2,1-4H3.
What are the key properties of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-1-ol?
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-1-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 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 13131208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).