O-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride

C5H15ClN2O — CID 22479554

IUPACO-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride
SMILESCCC(ON)N(C)C.Cl
InChIInChI=1S/C5H14N2O.ClH/c1-4-5(8-6)7(2)3;/h5H,4,6H2,1-3H3;1H
InChIKeyXIIWSDRSMMCACI-UHFFFAOYSA-N
MW154.64 g/mol
LogP0.60
Rot. Bonds3

About O-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride

O-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride (PubChem CID 22479554) has the molecular formula C5H15ClN2O and a molecular weight of 154.64 g/mol. Its IUPAC name is O-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride
PubChem CID22479554
Molecular FormulaC5H15ClN2O
Molecular Weight154.64 g/mol
Exact Mass154.09
IUPAC NameO-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride
SMILESCCC(ON)N(C)C.Cl
InChIInChI=1S/C5H14N2O.ClH/c1-4-5(8-6)7(2)3;/h5H,4,6H2,1-3H3;1H
InChIKeyXIIWSDRSMMCACI-UHFFFAOYSA-N
XLogP0.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.64
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride (CID 22479554) is O-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride is CCC(ON)N(C)C.Cl.
What is the InChIKey of O-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride?
The InChIKey is XIIWSDRSMMCACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O.ClH/c1-4-5(8-6)7(2)3;/h5H,4,6H2,1-3H3;1H.
What are the key properties of O-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride?
O-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride has a molecular weight of 154.64 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1-(dimethylamino)propyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 22479554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).