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

C8H19NO2 — CID 19806492

IUPAC1-[(1-hydroxy-2-methylpropan-2-yl)amino]butan-2-ol
SMILESCCC(O)CNC(C)(C)CO
InChIInChI=1S/C8H19NO2/c1-4-7(11)5-9-8(2,3)6-10/h7,9-11H,4-6H2,1-3H3
InChIKeyTWTKUWBQBMZUQN-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.12
Rot. Bonds5

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

1-[(1-hydroxy-2-methylpropan-2-yl)amino]butan-2-ol (PubChem CID 19806492) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 1-[(1-hydroxy-2-methylpropan-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[(1-hydroxy-2-methylpropan-2-yl)amino]butan-2-ol
PubChem CID19806492
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name1-[(1-hydroxy-2-methylpropan-2-yl)amino]butan-2-ol
SMILESCCC(O)CNC(C)(C)CO
InChIInChI=1S/C8H19NO2/c1-4-7(11)5-9-8(2,3)6-10/h7,9-11H,4-6H2,1-3H3
InChIKeyTWTKUWBQBMZUQN-UHFFFAOYSA-N
XLogP0.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
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]butan-2-ol?
The IUPAC name of 1-[(1-hydroxy-2-methylpropan-2-yl)amino]butan-2-ol (CID 19806492) is 1-[(1-hydroxy-2-methylpropan-2-yl)amino]butan-2-ol.
What is the SMILES notation for 1-[(1-hydroxy-2-methylpropan-2-yl)amino]butan-2-ol?
The canonical SMILES for 1-[(1-hydroxy-2-methylpropan-2-yl)amino]butan-2-ol is CCC(O)CNC(C)(C)CO.
What is the InChIKey of 1-[(1-hydroxy-2-methylpropan-2-yl)amino]butan-2-ol?
The InChIKey is TWTKUWBQBMZUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-4-7(11)5-9-8(2,3)6-10/h7,9-11H,4-6H2,1-3H3.
What are the key properties of 1-[(1-hydroxy-2-methylpropan-2-yl)amino]butan-2-ol?
1-[(1-hydroxy-2-methylpropan-2-yl)amino]butan-2-ol has a molecular weight of 161.24 g/mol, XLogP of 0.12, 5 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]butan-2-ol is sourced from PubChem (CID 19806492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).