O-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine

C9H20N2O — CID 117104637

IUPACO-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine
SMILESCCN1CCC(C(C)(C)ON)C1
InChIInChI=1S/C9H20N2O/c1-4-11-6-5-8(7-11)9(2,3)12-10/h8H,4-7,10H2,1-3H3
InChIKeyFJUDDDBFEFLEGW-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.00
Rot. Bonds3

About O-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine

O-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine (PubChem CID 117104637) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is O-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine
PubChem CID117104637
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameO-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine
SMILESCCN1CCC(C(C)(C)ON)C1
InChIInChI=1S/C9H20N2O/c1-4-11-6-5-8(7-11)9(2,3)12-10/h8H,4-7,10H2,1-3H3
InChIKeyFJUDDDBFEFLEGW-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
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 O-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine?
The IUPAC name of O-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine (CID 117104637) is O-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine.
What is the SMILES notation for O-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine?
The canonical SMILES for O-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine is CCN1CCC(C(C)(C)ON)C1.
What is the InChIKey of O-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine?
The InChIKey is FJUDDDBFEFLEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-11-6-5-8(7-11)9(2,3)12-10/h8H,4-7,10H2,1-3H3.
What are the key properties of O-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine?
O-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine has a molecular weight of 172.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine is sourced from PubChem (CID 117104637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).