1,5-bis[(dihydroxyamino)oxy]pentane

C5H14N2O6 — CID 88559979

IUPAC1,5-bis[(dihydroxyamino)oxy]pentane
SMILESON(O)OCCCCCON(O)O
InChIInChI=1S/C5H14N2O6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h8-11H,1-5H2
InChIKeyQJTHERDEELJYNR-UHFFFAOYSA-N
MW198.17 g/mol
LogP0.18
Rot. Bonds8

About 1,5-bis[(dihydroxyamino)oxy]pentane

1,5-bis[(dihydroxyamino)oxy]pentane (PubChem CID 88559979) has the molecular formula C5H14N2O6 and a molecular weight of 198.17 g/mol. Its IUPAC name is 1,5-bis[(dihydroxyamino)oxy]pentane.

Molecular Properties

Compound Name1,5-bis[(dihydroxyamino)oxy]pentane
PubChem CID88559979
Molecular FormulaC5H14N2O6
Molecular Weight198.17 g/mol
Exact Mass198.09
IUPAC Name1,5-bis[(dihydroxyamino)oxy]pentane
SMILESON(O)OCCCCCON(O)O
InChIInChI=1S/C5H14N2O6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h8-11H,1-5H2
InChIKeyQJTHERDEELJYNR-UHFFFAOYSA-N
XLogP0.18
TPSA105.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

11-(dihydroxyamino)oxyundecanoic acid
CID 88938891
3-(dihydroxyamino)oxypropan-1-amine
CID 88939530
5-(dihydroxyamino)oxypentanoyl chloride
CID 88560100
4-(dihydroxyamino)oxybutyl carbonochloridate
CID 89030759
ethyl 5-(dihydroxyamino)oxypentanoate
CID 88938889
6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid
CID 89081486
3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid
CID 89081489
3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate
CID 89081551
6-(dihydroxyamino)oxyhexyl (3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate
CID 89081509
6-(dihydroxyamino)oxyhexyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 89047761
1-[4-[amino(oxido)amino]oxybutoxy]-1-oxidohydrazine
CID 163898435
4-(dihydroxyamino)oxybutyl 2-(6-methylnaphthalen-2-yl)propanoate
CID 89184538

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[(dihydroxyamino)oxy]pentane?
The IUPAC name of 1,5-bis[(dihydroxyamino)oxy]pentane (CID 88559979) is 1,5-bis[(dihydroxyamino)oxy]pentane.
What is the SMILES notation for 1,5-bis[(dihydroxyamino)oxy]pentane?
The canonical SMILES for 1,5-bis[(dihydroxyamino)oxy]pentane is ON(O)OCCCCCON(O)O.
What is the InChIKey of 1,5-bis[(dihydroxyamino)oxy]pentane?
The InChIKey is QJTHERDEELJYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h8-11H,1-5H2.
What are the key properties of 1,5-bis[(dihydroxyamino)oxy]pentane?
1,5-bis[(dihydroxyamino)oxy]pentane has a molecular weight of 198.17 g/mol, XLogP of 0.18, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[(dihydroxyamino)oxy]pentane is sourced from PubChem (CID 88559979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).