1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol

C7H17NO4 — CID 57284867

IUPAC1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol
SMILESCC(O)CON(C(C)O)C(C)O
InChIInChI=1S/C7H17NO4/c1-5(9)4-12-8(6(2)10)7(3)11/h5-7,9-11H,4H2,1-3H3
InChIKeyKCDHRRORSIFKGG-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.72
Rot. Bonds5

About 1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol

1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol (PubChem CID 57284867) has the molecular formula C7H17NO4 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol.

Molecular Properties

Compound Name1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol
PubChem CID57284867
Molecular FormulaC7H17NO4
Molecular Weight179.22 g/mol
Exact Mass179.12
IUPAC Name1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol
SMILESCC(O)CON(C(C)O)C(C)O
InChIInChI=1S/C7H17NO4/c1-5(9)4-12-8(6(2)10)7(3)11/h5-7,9-11H,4H2,1-3H3
InChIKeyKCDHRRORSIFKGG-UHFFFAOYSA-N
XLogP-0.72
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1-(2-hydroxypropoxy)ethane-1,2-diol
CID 54202578
1-methoxypropan-2-ol chloride
CID 23303898
dihydroxy-bis(2-hydroxypropoxy)phosphanium
CID 89292241
1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316
1-methoxypropan-2-ol;propane
CID 159966080
(1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol
CID 118964156
tris(pentane-2,4-diol);ruthenium
CID 5231187
1-prop-1-en-2-yloxypropan-2-ol
CID 15051326
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
CID 88825483
CID 88825483
1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol
CID 58004939

Frequently Asked Questions

What is the IUPAC name of 1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol?
The IUPAC name of 1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol (CID 57284867) is 1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol.
What is the SMILES notation for 1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol?
The canonical SMILES for 1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol is CC(O)CON(C(C)O)C(C)O.
What is the InChIKey of 1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol?
The InChIKey is KCDHRRORSIFKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4/c1-5(9)4-12-8(6(2)10)7(3)11/h5-7,9-11H,4H2,1-3H3.
What are the key properties of 1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol?
1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol has a molecular weight of 179.22 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol is sourced from PubChem (CID 57284867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).