azane;O-butylhydroxylamine;dihydrochloride

C4H16Cl2N2O — CID 19968679

IUPACazane;O-butylhydroxylamine;dihydrochloride
SMILESCCCCON.Cl.Cl.N
InChIInChI=1S/C4H11NO.2ClH.H3N/c1-2-3-4-6-5;;;/h2-5H2,1H3;2*1H;1H3
InChIKeyLWGURBMRMNBUMO-UHFFFAOYSA-N
MW179.09 g/mol
LogP1.68
Rot. Bonds3

About azane;O-butylhydroxylamine;dihydrochloride

azane;O-butylhydroxylamine;dihydrochloride (PubChem CID 19968679) has the molecular formula C4H16Cl2N2O and a molecular weight of 179.09 g/mol. Its IUPAC name is azane;O-butylhydroxylamine;dihydrochloride.

Molecular Properties

Compound Nameazane;O-butylhydroxylamine;dihydrochloride
PubChem CID19968679
Molecular FormulaC4H16Cl2N2O
Molecular Weight179.09 g/mol
Exact Mass178.06
IUPAC Nameazane;O-butylhydroxylamine;dihydrochloride
SMILESCCCCON.Cl.Cl.N
InChIInChI=1S/C4H11NO.2ClH.H3N/c1-2-3-4-6-5;;;/h2-5H2,1H3;2*1H;1H3
InChIKeyLWGURBMRMNBUMO-UHFFFAOYSA-N
XLogP1.68
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.09
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-butylhydroxylamine;hydroxylamine
CID 19968689
O-nonadecylhydroxylamine
CID 59050271
O-nonylhydroxylamine
CID 5118359
O-octacosylhydroxylamine
CID 151286755
O-hexylhydroxylamine;hydrobromide
CID 174943876
O-decylhydroxylamine;hydrazine
CID 158088007
O-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride
CID 175022077
O-ethylhydroxylamine;pentane
CID 91358328
O-(12-aminooxydodecyl)hydroxylamine
CID 134994458
1-butylperoxybutane
CID 159275797
azane;1-propoxybutane
CID 87292575
azane;tritriacontane;hydrochloride
CID 174841743

Frequently Asked Questions

What is the IUPAC name of azane;O-butylhydroxylamine;dihydrochloride?
The IUPAC name of azane;O-butylhydroxylamine;dihydrochloride (CID 19968679) is azane;O-butylhydroxylamine;dihydrochloride.
What is the SMILES notation for azane;O-butylhydroxylamine;dihydrochloride?
The canonical SMILES for azane;O-butylhydroxylamine;dihydrochloride is CCCCON.Cl.Cl.N.
What is the InChIKey of azane;O-butylhydroxylamine;dihydrochloride?
The InChIKey is LWGURBMRMNBUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.2ClH.H3N/c1-2-3-4-6-5;;;/h2-5H2,1H3;2*1H;1H3.
What are the key properties of azane;O-butylhydroxylamine;dihydrochloride?
azane;O-butylhydroxylamine;dihydrochloride has a molecular weight of 179.09 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;O-butylhydroxylamine;dihydrochloride is sourced from PubChem (CID 19968679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).