1-methylpyrrolidine;O-propan-2-ylhydroxylamine

C8H20N2O — CID 166533947

IUPAC1-methylpyrrolidine;O-propan-2-ylhydroxylamine
SMILESCC(C)ON.CN1CCCC1
InChIInChI=1S/C5H11N.C3H9NO/c1-6-4-2-3-5-6;1-3(2)5-4/h2-5H2,1H3;3H,4H2,1-2H3
InChIKeyOHLWJRXYVLZJOJ-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.00
Rot. Bonds1

About 1-methylpyrrolidine;O-propan-2-ylhydroxylamine

1-methylpyrrolidine;O-propan-2-ylhydroxylamine (PubChem CID 166533947) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-methylpyrrolidine;O-propan-2-ylhydroxylamine.

Molecular Properties

Compound Name1-methylpyrrolidine;O-propan-2-ylhydroxylamine
PubChem CID166533947
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name1-methylpyrrolidine;O-propan-2-ylhydroxylamine
SMILESCC(C)ON.CN1CCCC1
InChIInChI=1S/C5H11N.C3H9NO/c1-6-4-2-3-5-6;1-3(2)5-4/h2-5H2,1H3;3H,4H2,1-2H3
InChIKeyOHLWJRXYVLZJOJ-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
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 1-methylpyrrolidine;O-propan-2-ylhydroxylamine?
The IUPAC name of 1-methylpyrrolidine;O-propan-2-ylhydroxylamine (CID 166533947) is 1-methylpyrrolidine;O-propan-2-ylhydroxylamine.
What is the SMILES notation for 1-methylpyrrolidine;O-propan-2-ylhydroxylamine?
The canonical SMILES for 1-methylpyrrolidine;O-propan-2-ylhydroxylamine is CC(C)ON.CN1CCCC1.
What is the InChIKey of 1-methylpyrrolidine;O-propan-2-ylhydroxylamine?
The InChIKey is OHLWJRXYVLZJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H9NO/c1-6-4-2-3-5-6;1-3(2)5-4/h2-5H2,1H3;3H,4H2,1-2H3.
What are the key properties of 1-methylpyrrolidine;O-propan-2-ylhydroxylamine?
1-methylpyrrolidine;O-propan-2-ylhydroxylamine has a molecular weight of 160.26 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine;O-propan-2-ylhydroxylamine is sourced from PubChem (CID 166533947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).