1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol

C12H27NO3S — CID 63965158

IUPAC1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
SMILESCCOCCOCC(O)CNCC(C)CSC
InChIInChI=1S/C12H27NO3S/c1-4-15-5-6-16-9-12(14)8-13-7-11(2)10-17-3/h11-14H,4-10H2,1-3H3
InChIKeyLUGGUZIEUUFYAT-UHFFFAOYSA-N
MW265.42 g/mol
LogP0.99
Rot. Bonds12

About 1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol

1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol (PubChem CID 63965158) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
PubChem CID63965158
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
SMILESCCOCCOCC(O)CNCC(C)CSC
InChIInChI=1S/C12H27NO3S/c1-4-15-5-6-16-9-12(14)8-13-7-11(2)10-17-3/h11-14H,4-10H2,1-3H3
InChIKeyLUGGUZIEUUFYAT-UHFFFAOYSA-N
XLogP0.99
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966276
1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965990
5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 114151870
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 113226892
N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 65175780
1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 114099796
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174317
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63964083
1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol
CID 106990485

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol?
The IUPAC name of 1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol (CID 63965158) is 1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol is CCOCCOCC(O)CNCC(C)CSC.
What is the InChIKey of 1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol?
The InChIKey is LUGGUZIEUUFYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-4-15-5-6-16-9-12(14)8-13-7-11(2)10-17-3/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol?
1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol has a molecular weight of 265.42 g/mol, XLogP of 0.99, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol is sourced from PubChem (CID 63965158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).