O-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride

C6H16Cl2N2O — CID 21430665

IUPACO-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride
SMILESCC(ON)N1CCCC1.Cl.Cl
InChIInChI=1S/C6H14N2O.2ClH/c1-6(9-7)8-4-2-3-5-8;;/h6H,2-5,7H2,1H3;2*1H
InChIKeyKAOKQPCSWFGYHF-UHFFFAOYSA-N
MW203.11 g/mol
LogP1.16
Rot. Bonds2

About O-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride

O-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride (PubChem CID 21430665) has the molecular formula C6H16Cl2N2O and a molecular weight of 203.11 g/mol. Its IUPAC name is O-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride.

Molecular Properties

Compound NameO-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride
PubChem CID21430665
Molecular FormulaC6H16Cl2N2O
Molecular Weight203.11 g/mol
Exact Mass202.06
IUPAC NameO-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride
SMILESCC(ON)N1CCCC1.Cl.Cl
InChIInChI=1S/C6H14N2O.2ClH/c1-6(9-7)8-4-2-3-5-8;;/h6H,2-5,7H2,1H3;2*1H
InChIKeyKAOKQPCSWFGYHF-UHFFFAOYSA-N
XLogP1.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 51.16
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-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride?
The IUPAC name of O-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride (CID 21430665) is O-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride.
What is the SMILES notation for O-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride?
The canonical SMILES for O-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride is CC(ON)N1CCCC1.Cl.Cl.
What is the InChIKey of O-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride?
The InChIKey is KAOKQPCSWFGYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.2ClH/c1-6(9-7)8-4-2-3-5-8;;/h6H,2-5,7H2,1H3;2*1H.
What are the key properties of O-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride?
O-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride has a molecular weight of 203.11 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride is sourced from PubChem (CID 21430665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).