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

C8H18N2O — CID 117104630

IUPACO-[2-(1-methylpyrrolidin-3-yl)propan-2-yl]hydroxylamine
SMILESCN1CCC(C(C)(C)ON)C1
InChIInChI=1S/C8H18N2O/c1-8(2,11-9)7-4-5-10(3)6-7/h7H,4-6,9H2,1-3H3
InChIKeyCOOXCTPWAUWTRH-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.61
Rot. Bonds2

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

O-[2-(1-methylpyrrolidin-3-yl)propan-2-yl]hydroxylamine (PubChem CID 117104630) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is O-[2-(1-methylpyrrolidin-3-yl)propan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(1-methylpyrrolidin-3-yl)propan-2-yl]hydroxylamine
PubChem CID117104630
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameO-[2-(1-methylpyrrolidin-3-yl)propan-2-yl]hydroxylamine
SMILESCN1CCC(C(C)(C)ON)C1
InChIInChI=1S/C8H18N2O/c1-8(2,11-9)7-4-5-10(3)6-7/h7H,4-6,9H2,1-3H3
InChIKeyCOOXCTPWAUWTRH-UHFFFAOYSA-N
XLogP0.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.61
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-methylpyrrolidin-3-yl)propan-2-yl]hydroxylamine?
The IUPAC name of O-[2-(1-methylpyrrolidin-3-yl)propan-2-yl]hydroxylamine (CID 117104630) is O-[2-(1-methylpyrrolidin-3-yl)propan-2-yl]hydroxylamine.
What is the SMILES notation for O-[2-(1-methylpyrrolidin-3-yl)propan-2-yl]hydroxylamine?
The canonical SMILES for O-[2-(1-methylpyrrolidin-3-yl)propan-2-yl]hydroxylamine is CN1CCC(C(C)(C)ON)C1.
What is the InChIKey of O-[2-(1-methylpyrrolidin-3-yl)propan-2-yl]hydroxylamine?
The InChIKey is COOXCTPWAUWTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2,11-9)7-4-5-10(3)6-7/h7H,4-6,9H2,1-3H3.
What are the key properties of O-[2-(1-methylpyrrolidin-3-yl)propan-2-yl]hydroxylamine?
O-[2-(1-methylpyrrolidin-3-yl)propan-2-yl]hydroxylamine has a molecular weight of 158.24 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(1-methylpyrrolidin-3-yl)propan-2-yl]hydroxylamine is sourced from PubChem (CID 117104630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).