N-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride

C5H10ClNO — CID 86154295

IUPACN-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride
SMILESC#CC(C)(C)NO.Cl
InChIInChI=1S/C5H9NO.ClH/c1-4-5(2,3)6-7;/h1,6-7H,2-3H3;1H
InChIKeyQOQHOBUIZIRPOY-UHFFFAOYSA-N
MW135.59 g/mol
LogP0.80
Rot. Bonds1

About N-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride

N-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride (PubChem CID 86154295) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is N-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride
PubChem CID86154295
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC NameN-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride
SMILESC#CC(C)(C)NO.Cl
InChIInChI=1S/C5H9NO.ClH/c1-4-5(2,3)6-7;/h1,6-7H,2-3H3;1H
InChIKeyQOQHOBUIZIRPOY-UHFFFAOYSA-N
XLogP0.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride?
The IUPAC name of N-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride (CID 86154295) is N-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride.
What is the SMILES notation for N-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride?
The canonical SMILES for N-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride is C#CC(C)(C)NO.Cl.
What is the InChIKey of N-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride?
The InChIKey is QOQHOBUIZIRPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.ClH/c1-4-5(2,3)6-7;/h1,6-7H,2-3H3;1H.
What are the key properties of N-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride?
N-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride has a molecular weight of 135.59 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride is sourced from PubChem (CID 86154295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).