3-hydroperoxypropan-1-amine

C3H9NO2 — CID 90707028

IUPAC3-hydroperoxypropan-1-amine
SMILESNCCCOO
InChIInChI=1S/C3H9NO2/c4-2-1-3-6-5/h5H,1-4H2
InChIKeySHFAECWMCWBVLE-UHFFFAOYSA-N
MW91.11 g/mol
LogP-0.18
Rot. Bonds3

About 3-hydroperoxypropan-1-amine

3-hydroperoxypropan-1-amine (PubChem CID 90707028) has the molecular formula C3H9NO2 and a molecular weight of 91.11 g/mol. Its IUPAC name is 3-hydroperoxypropan-1-amine.

Molecular Properties

Compound Name3-hydroperoxypropan-1-amine
PubChem CID90707028
Molecular FormulaC3H9NO2
Molecular Weight91.11 g/mol
Exact Mass91.06
IUPAC Name3-hydroperoxypropan-1-amine
SMILESNCCCOO
InChIInChI=1S/C3H9NO2/c4-2-1-3-6-5/h5H,1-4H2
InChIKeySHFAECWMCWBVLE-UHFFFAOYSA-N
XLogP-0.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dihydroperoxypropane
CID 87409456
1-(3-aminopropoxy)ethenol
CID 176659165
3-(dihydroxyamino)oxypropan-1-amine
CID 88939530
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
3-methoxypropan-1-amine
CID 123566454
4-aminobutaneperoxoic acid
CID 10887886
2-[3-(3-aminopropoxy)propoxy]ethanol
CID 87504728
azane;3-methoxypropan-1-amine
CID 172866087
cadmium;bis(1-hydroperoxybutane)
CID 134995939
4-[2-(3-aminopropoxy)ethoxy]butan-1-ol
CID 58517376
1-(3-aminopropoxy)ethanol
CID 19915425

Frequently Asked Questions

What is the IUPAC name of 3-hydroperoxypropan-1-amine?
The IUPAC name of 3-hydroperoxypropan-1-amine (CID 90707028) is 3-hydroperoxypropan-1-amine.
What is the SMILES notation for 3-hydroperoxypropan-1-amine?
The canonical SMILES for 3-hydroperoxypropan-1-amine is NCCCOO.
What is the InChIKey of 3-hydroperoxypropan-1-amine?
The InChIKey is SHFAECWMCWBVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2/c4-2-1-3-6-5/h5H,1-4H2.
What are the key properties of 3-hydroperoxypropan-1-amine?
3-hydroperoxypropan-1-amine has a molecular weight of 91.11 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroperoxypropan-1-amine is sourced from PubChem (CID 90707028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).