2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine

C13H29NO2S — CID 129232053

IUPAC2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine
SMILESCC(C)OCCNCCOC(C)(C)SC(C)C
InChIInChI=1S/C13H29NO2S/c1-11(2)15-9-7-14-8-10-16-13(5,6)17-12(3)4/h11-12,14H,7-10H2,1-6H3
InChIKeyPJRYMYPVDGEHID-UHFFFAOYSA-N
MW263.45 g/mol
LogP2.90
Rot. Bonds10

About 2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine

2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine (PubChem CID 129232053) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine
PubChem CID129232053
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC Name2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine
SMILESCC(C)OCCNCCOC(C)(C)SC(C)C
InChIInChI=1S/C13H29NO2S/c1-11(2)15-9-7-14-8-10-16-13(5,6)17-12(3)4/h11-12,14H,7-10H2,1-6H3
InChIKeyPJRYMYPVDGEHID-UHFFFAOYSA-N
XLogP2.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine?
The IUPAC name of 2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine (CID 129232053) is 2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine.
What is the SMILES notation for 2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine?
The canonical SMILES for 2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine is CC(C)OCCNCCOC(C)(C)SC(C)C.
What is the InChIKey of 2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine?
The InChIKey is PJRYMYPVDGEHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-11(2)15-9-7-14-8-10-16-13(5,6)17-12(3)4/h11-12,14H,7-10H2,1-6H3.
What are the key properties of 2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine?
2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine has a molecular weight of 263.45 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine is sourced from PubChem (CID 129232053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).