3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol

C9H21NO4 — CID 129092165

IUPAC3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol
SMILESCC(OCCN)C(C)OCC(O)CO
InChIInChI=1S/C9H21NO4/c1-7(13-4-3-10)8(2)14-6-9(12)5-11/h7-9,11-12H,3-6,10H2,1-2H3
InChIKeyWCLBISGQBFAYFW-UHFFFAOYSA-N
MW207.27 g/mol
LogP-0.89
Rot. Bonds8

About 3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol

3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol (PubChem CID 129092165) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol
PubChem CID129092165
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol
SMILESCC(OCCN)C(C)OCC(O)CO
InChIInChI=1S/C9H21NO4/c1-7(13-4-3-10)8(2)14-6-9(12)5-11/h7-9,11-12H,3-6,10H2,1-2H3
InChIKeyWCLBISGQBFAYFW-UHFFFAOYSA-N
XLogP-0.89
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-hydroxypentan-2-yloxy)propane-1,2-diol
CID 123265934
3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol
CID 87843229
1-(2-aminoethoxy)ethanol;hydroxylamine
CID 87972798
ethane-1,2-diamine;tetrakis(propane-1,2-diol)
CID 19100522
3-(4-hydroxypentan-2-yloxy)propane-1,2-diol
CID 126566671
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
2-(2,3-dihydroxypropoxy)propanenitrile
CID 54069244
2-propan-2-yloxyethanamine
CID 533866
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
2-aminoethoxy(trihydroxy)phosphanium
CID 55290252
ethyl 2-(2,3-dihydroxypropoxy)butanoate
CID 174629792
3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol
CID 173222430

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol?
The IUPAC name of 3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol (CID 129092165) is 3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol.
What is the SMILES notation for 3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol?
The canonical SMILES for 3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol is CC(OCCN)C(C)OCC(O)CO.
What is the InChIKey of 3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol?
The InChIKey is WCLBISGQBFAYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4/c1-7(13-4-3-10)8(2)14-6-9(12)5-11/h7-9,11-12H,3-6,10H2,1-2H3.
What are the key properties of 3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol?
3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol has a molecular weight of 207.27 g/mol, XLogP of -0.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol is sourced from PubChem (CID 129092165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).