2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol

C6H16N2O4 — CID 101409986

IUPAC2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol
SMILESCC(CO)ON(N)OC(C)CO
InChIInChI=1S/C6H16N2O4/c1-5(3-9)11-8(7)12-6(2)4-10/h5-6,9-10H,3-4,7H2,1-2H3
InChIKeyGXWUSOFVTZQKHJ-UHFFFAOYSA-N
MW180.20 g/mol
LogP-1.21
Rot. Bonds6

About 2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol

2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol (PubChem CID 101409986) has the molecular formula C6H16N2O4 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol.

Molecular Properties

Compound Name2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol
PubChem CID101409986
Molecular FormulaC6H16N2O4
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Name2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol
SMILESCC(CO)ON(N)OC(C)CO
InChIInChI=1S/C6H16N2O4/c1-5(3-9)11-8(7)12-6(2)4-10/h5-6,9-10H,3-4,7H2,1-2H3
InChIKeyGXWUSOFVTZQKHJ-UHFFFAOYSA-N
XLogP-1.21
TPSA88.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(1-aminoethoxy)propan-1-ol
CID 142604157
2-Hydroxy-1-methylethyldioxy
CID 132575456
azane;tris(2-methylpropan-1-ol)
CID 175819145
2-(1-hydroxypropan-2-yloxy)propane-1,3-diol
CID 54551679
[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 167060953
2-[amino(propan-2-yl)amino]propane-1,3-diol
CID 130198697
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386
bis(1-hydroxypropan-2-yl) carbonate
CID 87589930
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
(2S)-2-amino-5-methoxyhexan-1-ol
CID 58308158
(2R)-2-(methoxymethoxy)propan-1-ol
CID 10975472
1-hydroxypropan-2-yl formate
CID 22152793

Frequently Asked Questions

What is the IUPAC name of 2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol?
The IUPAC name of 2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol (CID 101409986) is 2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol.
What is the SMILES notation for 2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol?
The canonical SMILES for 2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol is CC(CO)ON(N)OC(C)CO.
What is the InChIKey of 2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol?
The InChIKey is GXWUSOFVTZQKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O4/c1-5(3-9)11-8(7)12-6(2)4-10/h5-6,9-10H,3-4,7H2,1-2H3.
What are the key properties of 2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol?
2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol has a molecular weight of 180.20 g/mol, XLogP of -1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol is sourced from PubChem (CID 101409986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).