O-(2-methylpropyl)hydroxylamine;hydrochloride

C4H12ClNO — CID 12696238

IUPACO-(2-methylpropyl)hydroxylamine;hydrochloride
SMILESCC(C)CON.Cl
InChIInChI=1S/C4H11NO.ClH/c1-4(2)3-6-5;/h4H,3,5H2,1-2H3;1H
InChIKeyWOXGREIMSJFDPG-UHFFFAOYSA-N
MW125.60 g/mol
LogP0.95
Rot. Bonds2

About O-(2-methylpropyl)hydroxylamine;hydrochloride

O-(2-methylpropyl)hydroxylamine;hydrochloride (PubChem CID 12696238) has the molecular formula C4H12ClNO and a molecular weight of 125.60 g/mol. Its IUPAC name is O-(2-methylpropyl)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-(2-methylpropyl)hydroxylamine;hydrochloride
PubChem CID12696238
Molecular FormulaC4H12ClNO
Molecular Weight125.60 g/mol
Exact Mass125.06
IUPAC NameO-(2-methylpropyl)hydroxylamine;hydrochloride
SMILESCC(C)CON.Cl
InChIInChI=1S/C4H11NO.ClH/c1-4(2)3-6-5;/h4H,3,5H2,1-2H3;1H
InChIKeyWOXGREIMSJFDPG-UHFFFAOYSA-N
XLogP0.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.60
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylpropyl)hydroxylamine;hydrochloride?
The IUPAC name of O-(2-methylpropyl)hydroxylamine;hydrochloride (CID 12696238) is O-(2-methylpropyl)hydroxylamine;hydrochloride.
What is the SMILES notation for O-(2-methylpropyl)hydroxylamine;hydrochloride?
The canonical SMILES for O-(2-methylpropyl)hydroxylamine;hydrochloride is CC(C)CON.Cl.
What is the InChIKey of O-(2-methylpropyl)hydroxylamine;hydrochloride?
The InChIKey is WOXGREIMSJFDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.ClH/c1-4(2)3-6-5;/h4H,3,5H2,1-2H3;1H.
What are the key properties of O-(2-methylpropyl)hydroxylamine;hydrochloride?
O-(2-methylpropyl)hydroxylamine;hydrochloride has a molecular weight of 125.60 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-methylpropyl)hydroxylamine;hydrochloride is sourced from PubChem (CID 12696238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).