1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol

C11H25NO2 — CID 3067040

IUPAC1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol
SMILESCCC(C)OCC(O)CNC(C)(C)C
InChIInChI=1S/C11H25NO2/c1-6-9(2)14-8-10(13)7-12-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyAVUTUYFEQJQTJT-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.55
Rot. Bonds6

About 1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol

1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol (PubChem CID 3067040) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol.

Molecular Properties

Compound Name1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol
PubChem CID3067040
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol
SMILESCCC(C)OCC(O)CNC(C)(C)C
InChIInChI=1S/C11H25NO2/c1-6-9(2)14-8-10(13)7-12-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyAVUTUYFEQJQTJT-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol?
The IUPAC name of 1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol (CID 3067040) is 1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol.
What is the SMILES notation for 1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol?
The canonical SMILES for 1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol is CCC(C)OCC(O)CNC(C)(C)C.
What is the InChIKey of 1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol?
The InChIKey is AVUTUYFEQJQTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-6-9(2)14-8-10(13)7-12-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3.
What are the key properties of 1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol?
1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol is sourced from PubChem (CID 3067040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).