O-(4-pyrrolidin-1-ylbutyl)hydroxylamine

C8H18N2O — CID 117126912

IUPACO-(4-pyrrolidin-1-ylbutyl)hydroxylamine
SMILESNOCCCCN1CCCC1
InChIInChI=1S/C8H18N2O/c9-11-8-4-3-7-10-5-1-2-6-10/h1-9H2
InChIKeyMJUMBNYLZVKWJI-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.75
Rot. Bonds5

About O-(4-pyrrolidin-1-ylbutyl)hydroxylamine

O-(4-pyrrolidin-1-ylbutyl)hydroxylamine (PubChem CID 117126912) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is O-(4-pyrrolidin-1-ylbutyl)hydroxylamine.

Molecular Properties

Compound NameO-(4-pyrrolidin-1-ylbutyl)hydroxylamine
PubChem CID117126912
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameO-(4-pyrrolidin-1-ylbutyl)hydroxylamine
SMILESNOCCCCN1CCCC1
InChIInChI=1S/C8H18N2O/c9-11-8-4-3-7-10-5-1-2-6-10/h1-9H2
InChIKeyMJUMBNYLZVKWJI-UHFFFAOYSA-N
XLogP0.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of O-(4-pyrrolidin-1-ylbutyl)hydroxylamine?
The IUPAC name of O-(4-pyrrolidin-1-ylbutyl)hydroxylamine (CID 117126912) is O-(4-pyrrolidin-1-ylbutyl)hydroxylamine.
What is the SMILES notation for O-(4-pyrrolidin-1-ylbutyl)hydroxylamine?
The canonical SMILES for O-(4-pyrrolidin-1-ylbutyl)hydroxylamine is NOCCCCN1CCCC1.
What is the InChIKey of O-(4-pyrrolidin-1-ylbutyl)hydroxylamine?
The InChIKey is MJUMBNYLZVKWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c9-11-8-4-3-7-10-5-1-2-6-10/h1-9H2.
What are the key properties of O-(4-pyrrolidin-1-ylbutyl)hydroxylamine?
O-(4-pyrrolidin-1-ylbutyl)hydroxylamine has a molecular weight of 158.24 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4-pyrrolidin-1-ylbutyl)hydroxylamine is sourced from PubChem (CID 117126912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).