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

C11H23NO3 — CID 15446366

IUPAC1-(tert-butylamino)-3-(2-ethenoxyethoxy)propan-2-ol
SMILESC=COCCOCC(O)CNC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-14-6-7-15-9-10(13)8-12-11(2,3)4/h5,10,12-13H,1,6-9H2,2-4H3
InChIKeyGCSSDMSCRGNTKI-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.91
Rot. Bonds8

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

1-(tert-butylamino)-3-(2-ethenoxyethoxy)propan-2-ol (PubChem CID 15446366) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2-ethenoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2-ethenoxyethoxy)propan-2-ol
PubChem CID15446366
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-(tert-butylamino)-3-(2-ethenoxyethoxy)propan-2-ol
SMILESC=COCCOCC(O)CNC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-14-6-7-15-9-10(13)8-12-11(2,3)4/h5,10,12-13H,1,6-9H2,2-4H3
InChIKeyGCSSDMSCRGNTKI-UHFFFAOYSA-N
XLogP0.91
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2-ethenoxyethoxy)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(2-ethenoxyethoxy)propan-2-ol (CID 15446366) is 1-(tert-butylamino)-3-(2-ethenoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(2-ethenoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(2-ethenoxyethoxy)propan-2-ol is C=COCCOCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-(2-ethenoxyethoxy)propan-2-ol?
The InChIKey is GCSSDMSCRGNTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-14-6-7-15-9-10(13)8-12-11(2,3)4/h5,10,12-13H,1,6-9H2,2-4H3.
What are the key properties of 1-(tert-butylamino)-3-(2-ethenoxyethoxy)propan-2-ol?
1-(tert-butylamino)-3-(2-ethenoxyethoxy)propan-2-ol has a molecular weight of 217.31 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(2-ethenoxyethoxy)propan-2-ol is sourced from PubChem (CID 15446366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).