N-aminooxypropan-2-amine oxide

C3H10N2O2 — CID 163803273

IUPACN-aminooxypropan-2-amine oxide
SMILESCC(C)[NH+]([O-])ON
InChIInChI=1S/C3H10N2O2/c1-3(2)5(6)7-4/h3,5H,4H2,1-2H3
InChIKeyNGUSSPSNWWCVQW-UHFFFAOYSA-N
MW106.12 g/mol
LogP-1.42
Rot. Bonds2

About N-aminooxypropan-2-amine oxide

N-aminooxypropan-2-amine oxide (PubChem CID 163803273) has the molecular formula C3H10N2O2 and a molecular weight of 106.12 g/mol. Its IUPAC name is N-aminooxypropan-2-amine oxide.

Molecular Properties

Compound NameN-aminooxypropan-2-amine oxide
PubChem CID163803273
Molecular FormulaC3H10N2O2
Molecular Weight106.12 g/mol
Exact Mass106.07
IUPAC NameN-aminooxypropan-2-amine oxide
SMILESCC(C)[NH+]([O-])ON
InChIInChI=1S/C3H10N2O2/c1-3(2)5(6)7-4/h3,5H,4H2,1-2H3
InChIKeyNGUSSPSNWWCVQW-UHFFFAOYSA-N
XLogP-1.42
TPSA62.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Isopropylhydroxylamine
CID 78763
Isopropylammonium nitrate
CID 55716
Hydroxypropylenediamine
CID 22185305
N-[3-(hydroxyamino)butan-2-yl]hydroxylamine
CID 5232174
N-oxidopropan-2-amine
CID 15775580
N-[2-(dihydroxyamino)butyl]hydroxylamine
CID 18959039
bis(N-oxidopropan-2-amine);platinum(2+)
CID 18983907
Propan-2-ylazanium nitrite
CID 20141352
Dihydroxy(propyl)azanium
CID 20565200
2-Nitropropan-1-amine
CID 21276889
1-N,1-N-dihydroxybutane-1,2-diamine
CID 21400038
N-(2-aminopropyl)hydroxylamine
CID 21419855

Frequently Asked Questions

What is the IUPAC name of N-aminooxypropan-2-amine oxide?
The IUPAC name of N-aminooxypropan-2-amine oxide (CID 163803273) is N-aminooxypropan-2-amine oxide.
What is the SMILES notation for N-aminooxypropan-2-amine oxide?
The canonical SMILES for N-aminooxypropan-2-amine oxide is CC(C)[NH+]([O-])ON.
What is the InChIKey of N-aminooxypropan-2-amine oxide?
The InChIKey is NGUSSPSNWWCVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O2/c1-3(2)5(6)7-4/h3,5H,4H2,1-2H3.
What are the key properties of N-aminooxypropan-2-amine oxide?
N-aminooxypropan-2-amine oxide has a molecular weight of 106.12 g/mol, XLogP of -1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-aminooxypropan-2-amine oxide is sourced from PubChem (CID 163803273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).