O-[1-(benzylamino)propan-2-yl]hydroxylamine

C10H16N2O — CID 57264222

IUPACO-[1-(benzylamino)propan-2-yl]hydroxylamine
SMILESCC(CNCc1ccccc1)ON
InChIInChI=1S/C10H16N2O/c1-9(13-11)7-12-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8,11H2,1H3
InChIKeyBHMCWLZONZPNGF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.05
Rot. Bonds5

About O-[1-(benzylamino)propan-2-yl]hydroxylamine

O-[1-(benzylamino)propan-2-yl]hydroxylamine (PubChem CID 57264222) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is O-[1-(benzylamino)propan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[1-(benzylamino)propan-2-yl]hydroxylamine
PubChem CID57264222
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameO-[1-(benzylamino)propan-2-yl]hydroxylamine
SMILESCC(CNCc1ccccc1)ON
InChIInChI=1S/C10H16N2O/c1-9(13-11)7-12-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8,11H2,1H3
InChIKeyBHMCWLZONZPNGF-UHFFFAOYSA-N
XLogP1.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.05
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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Frequently Asked Questions

What is the IUPAC name of O-[1-(benzylamino)propan-2-yl]hydroxylamine?
The IUPAC name of O-[1-(benzylamino)propan-2-yl]hydroxylamine (CID 57264222) is O-[1-(benzylamino)propan-2-yl]hydroxylamine.
What is the SMILES notation for O-[1-(benzylamino)propan-2-yl]hydroxylamine?
The canonical SMILES for O-[1-(benzylamino)propan-2-yl]hydroxylamine is CC(CNCc1ccccc1)ON.
What is the InChIKey of O-[1-(benzylamino)propan-2-yl]hydroxylamine?
The InChIKey is BHMCWLZONZPNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9(13-11)7-12-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8,11H2,1H3.
What are the key properties of O-[1-(benzylamino)propan-2-yl]hydroxylamine?
O-[1-(benzylamino)propan-2-yl]hydroxylamine has a molecular weight of 180.25 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1-(benzylamino)propan-2-yl]hydroxylamine is sourced from PubChem (CID 57264222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).