O-[1-(methylamino)butan-2-yl]hydroxylamine

C5H14N2O — CID 118650526

IUPACO-[1-(methylamino)butan-2-yl]hydroxylamine
SMILESCCC(CNC)ON
InChIInChI=1S/C5H14N2O/c1-3-5(8-6)4-7-2/h5,7H,3-4,6H2,1-2H3
InChIKeyPBRYKWXKBUYBOI-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.13
Rot. Bonds4

About O-[1-(methylamino)butan-2-yl]hydroxylamine

O-[1-(methylamino)butan-2-yl]hydroxylamine (PubChem CID 118650526) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is O-[1-(methylamino)butan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[1-(methylamino)butan-2-yl]hydroxylamine
PubChem CID118650526
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC NameO-[1-(methylamino)butan-2-yl]hydroxylamine
SMILESCCC(CNC)ON
InChIInChI=1S/C5H14N2O/c1-3-5(8-6)4-7-2/h5,7H,3-4,6H2,1-2H3
InChIKeyPBRYKWXKBUYBOI-UHFFFAOYSA-N
XLogP-0.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.13
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-(methylamino)butan-2-yl]hydroxylamine?
The IUPAC name of O-[1-(methylamino)butan-2-yl]hydroxylamine (CID 118650526) is O-[1-(methylamino)butan-2-yl]hydroxylamine.
What is the SMILES notation for O-[1-(methylamino)butan-2-yl]hydroxylamine?
The canonical SMILES for O-[1-(methylamino)butan-2-yl]hydroxylamine is CCC(CNC)ON.
What is the InChIKey of O-[1-(methylamino)butan-2-yl]hydroxylamine?
The InChIKey is PBRYKWXKBUYBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-3-5(8-6)4-7-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of O-[1-(methylamino)butan-2-yl]hydroxylamine?
O-[1-(methylamino)butan-2-yl]hydroxylamine has a molecular weight of 118.18 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1-(methylamino)butan-2-yl]hydroxylamine is sourced from PubChem (CID 118650526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).