4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butan-2-ol

C12H25NO2 — CID 75356356

IUPAC4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butan-2-ol
SMILESCC(O)CCNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H25NO2/c1-9(14)6-7-13-10-8-11(2,3)15-12(10,4)5/h9-10,13-14H,6-8H2,1-5H3
InChIKeyOAUWFMXQPGJLTQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.69
Rot. Bonds4

About 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butan-2-ol

4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butan-2-ol (PubChem CID 75356356) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butan-2-ol
PubChem CID75356356
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butan-2-ol
SMILESCC(O)CCNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H25NO2/c1-9(14)6-7-13-10-8-11(2,3)15-12(10,4)5/h9-10,13-14H,6-8H2,1-5H3
InChIKeyOAUWFMXQPGJLTQ-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butan-2-ol?
The IUPAC name of 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butan-2-ol (CID 75356356) is 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butan-2-ol is CC(O)CCNC1CC(C)(C)OC1(C)C.
What is the InChIKey of 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butan-2-ol?
The InChIKey is OAUWFMXQPGJLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(14)6-7-13-10-8-11(2,3)15-12(10,4)5/h9-10,13-14H,6-8H2,1-5H3.
What are the key properties of 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butan-2-ol?
4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butan-2-ol is sourced from PubChem (CID 75356356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).