3-(2-aminooxyethylamino)propan-1-ol

C5H14N2O2 — CID 126756651

IUPAC3-(2-aminooxyethylamino)propan-1-ol
SMILESNOCCNCCCO
InChIInChI=1S/C5H14N2O2/c6-9-5-3-7-2-1-4-8/h7-8H,1-6H2
InChIKeyMOQIIJAHPICQGB-UHFFFAOYSA-N
MW134.18 g/mol
LogP-1.15
Rot. Bonds6

About 3-(2-aminooxyethylamino)propan-1-ol

3-(2-aminooxyethylamino)propan-1-ol (PubChem CID 126756651) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-(2-aminooxyethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-aminooxyethylamino)propan-1-ol
PubChem CID126756651
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC Name3-(2-aminooxyethylamino)propan-1-ol
SMILESNOCCNCCCO
InChIInChI=1S/C5H14N2O2/c6-9-5-3-7-2-1-4-8/h7-8H,1-6H2
InChIKeyMOQIIJAHPICQGB-UHFFFAOYSA-N
XLogP-1.15
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminooxypropylamino)propan-1-ol
CID 88883874
3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol
CID 106309635
3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]propan-1-ol
CID 156692863
3-(3-aminopropylamino)propan-1-ol;dihydrochloride
CID 171689446
O-[2-[2-(ethylamino)ethylamino]ethyl]hydroxylamine
CID 118402818
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165
2-(5-hydroxypentylamino)ethyl formate
CID 138728311
3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol
CID 177226781
N-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide
CID 89252423
4-(3-aminopropylamino)butan-1-ol
CID 10725491
ethane;O-[2-(ethylamino)ethyl]hydroxylamine
CID 172573292

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminooxyethylamino)propan-1-ol?
The IUPAC name of 3-(2-aminooxyethylamino)propan-1-ol (CID 126756651) is 3-(2-aminooxyethylamino)propan-1-ol.
What is the SMILES notation for 3-(2-aminooxyethylamino)propan-1-ol?
The canonical SMILES for 3-(2-aminooxyethylamino)propan-1-ol is NOCCNCCCO.
What is the InChIKey of 3-(2-aminooxyethylamino)propan-1-ol?
The InChIKey is MOQIIJAHPICQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2/c6-9-5-3-7-2-1-4-8/h7-8H,1-6H2.
What are the key properties of 3-(2-aminooxyethylamino)propan-1-ol?
3-(2-aminooxyethylamino)propan-1-ol has a molecular weight of 134.18 g/mol, XLogP of -1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminooxyethylamino)propan-1-ol is sourced from PubChem (CID 126756651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).