1-butoxy-3-(tert-butylamino)propan-2-ol

C11H25NO2 — CID 3067038

IUPAC1-butoxy-3-(tert-butylamino)propan-2-ol
SMILESCCCCOCC(O)CNC(C)(C)C
InChIInChI=1S/C11H25NO2/c1-5-6-7-14-9-10(13)8-12-11(2,3)4/h10,12-13H,5-9H2,1-4H3
InChIKeyYOFMNFBHISSYGA-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.55
Rot. Bonds7

About 1-butoxy-3-(tert-butylamino)propan-2-ol

1-butoxy-3-(tert-butylamino)propan-2-ol (PubChem CID 3067038) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-butoxy-3-(tert-butylamino)propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-(tert-butylamino)propan-2-ol
PubChem CID3067038
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-butoxy-3-(tert-butylamino)propan-2-ol
SMILESCCCCOCC(O)CNC(C)(C)C
InChIInChI=1S/C11H25NO2/c1-5-6-7-14-9-10(13)8-12-11(2,3)4/h10,12-13H,5-9H2,1-4H3
InChIKeyYOFMNFBHISSYGA-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-(tert-butylamino)propan-2-ol?
The IUPAC name of 1-butoxy-3-(tert-butylamino)propan-2-ol (CID 3067038) is 1-butoxy-3-(tert-butylamino)propan-2-ol.
What is the SMILES notation for 1-butoxy-3-(tert-butylamino)propan-2-ol?
The canonical SMILES for 1-butoxy-3-(tert-butylamino)propan-2-ol is CCCCOCC(O)CNC(C)(C)C.
What is the InChIKey of 1-butoxy-3-(tert-butylamino)propan-2-ol?
The InChIKey is YOFMNFBHISSYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-6-7-14-9-10(13)8-12-11(2,3)4/h10,12-13H,5-9H2,1-4H3.
What are the key properties of 1-butoxy-3-(tert-butylamino)propan-2-ol?
1-butoxy-3-(tert-butylamino)propan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(tert-butylamino)propan-2-ol is sourced from PubChem (CID 3067038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).