1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol

C8H20N2O4 — CID 58004939

IUPAC1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol
SMILESCC(O)CONCCNOCC(C)O
InChIInChI=1S/C8H20N2O4/c1-7(11)5-13-9-3-4-10-14-6-8(2)12/h7-12H,3-6H2,1-2H3
InChIKeyJYGCHWWCJIGMMG-UHFFFAOYSA-N
MW208.26 g/mol
LogP-1.21
Rot. Bonds9

About 1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol

1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol (PubChem CID 58004939) has the molecular formula C8H20N2O4 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol
PubChem CID58004939
Molecular FormulaC8H20N2O4
Molecular Weight208.26 g/mol
Exact Mass208.14
IUPAC Name1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol
SMILESCC(O)CONCCNOCC(C)O
InChIInChI=1S/C8H20N2O4/c1-7(11)5-13-9-3-4-10-14-6-8(2)12/h7-12H,3-6H2,1-2H3
InChIKeyJYGCHWWCJIGMMG-UHFFFAOYSA-N
XLogP-1.21
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hydrazinyloxypropan-2-ol
CID 101409985
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1-(prop-1-en-2-ylamino)oxypropan-2-ol
CID 57103924
2-(2-aminopropoxyamino)ethanol
CID 163887996
1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316
2-[2-(2-methylpropoxyamino)ethoxy]ethanol
CID 82715522
1-(2-hydroxypropoxymethylamino)propan-2-one
CID 142147203
methyl 3-(2-methylpropoxyamino)propanoate
CID 82715640
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
1-(2,2-difluoroethoxy)propan-2-ol
CID 82006687
1-methoxypropan-2-ol chloride
CID 23303898
dihydroxy-bis(2-hydroxypropoxy)phosphanium
CID 89292241

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol?
The IUPAC name of 1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol (CID 58004939) is 1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol is CC(O)CONCCNOCC(C)O.
What is the InChIKey of 1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol?
The InChIKey is JYGCHWWCJIGMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4/c1-7(11)5-13-9-3-4-10-14-6-8(2)12/h7-12H,3-6H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol?
1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol has a molecular weight of 208.26 g/mol, XLogP of -1.21, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol is sourced from PubChem (CID 58004939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).