O-(butan-2-ylamino)hydroxylamine

C4H12N2O — CID 152738996

IUPACO-(butan-2-ylamino)hydroxylamine
SMILESCCC(C)NON
InChIInChI=1S/C4H12N2O/c1-3-4(2)6-7-5/h4,6H,3,5H2,1-2H3
InChIKeyZZEZSJMLDZJFKU-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.18
Rot. Bonds3

About O-(butan-2-ylamino)hydroxylamine

O-(butan-2-ylamino)hydroxylamine (PubChem CID 152738996) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is O-(butan-2-ylamino)hydroxylamine.

Molecular Properties

Compound NameO-(butan-2-ylamino)hydroxylamine
PubChem CID152738996
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC NameO-(butan-2-ylamino)hydroxylamine
SMILESCCC(C)NON
InChIInChI=1S/C4H12N2O/c1-3-4(2)6-7-5/h4,6H,3,5H2,1-2H3
InChIKeyZZEZSJMLDZJFKU-UHFFFAOYSA-N
XLogP0.18
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Isopropylhydroxylamine
CID 78763
N-Isopropylhydroxylamine Hydrochloride
CID 170873
Methoxy(propan-2-YL)amine
CID 12651820
(Butan-2-yl)(methoxy)amine hydrochloride
CID 71756556
Methoxy(propan-2-yl)amine hydrochloride
CID 71756557
1-Methylpropylhydroxyl amine
CID 3018801
N-(pentan-3-yl)hydroxylamine
CID 19073513
Oxybis(2-ethylamine)
CID 21251927
Hydroxypropylenediamine
CID 22185305
N-Hydroxy-sec-butylammonium chloride
CID 12355451
Hydroxy(propan-2-yl)azanium chloride
CID 11355458
Butan-2-yl(hydroxy)azanium chloride
CID 3018800

Frequently Asked Questions

What is the IUPAC name of O-(butan-2-ylamino)hydroxylamine?
The IUPAC name of O-(butan-2-ylamino)hydroxylamine (CID 152738996) is O-(butan-2-ylamino)hydroxylamine.
What is the SMILES notation for O-(butan-2-ylamino)hydroxylamine?
The canonical SMILES for O-(butan-2-ylamino)hydroxylamine is CCC(C)NON.
What is the InChIKey of O-(butan-2-ylamino)hydroxylamine?
The InChIKey is ZZEZSJMLDZJFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c1-3-4(2)6-7-5/h4,6H,3,5H2,1-2H3.
What are the key properties of O-(butan-2-ylamino)hydroxylamine?
O-(butan-2-ylamino)hydroxylamine has a molecular weight of 104.15 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(butan-2-ylamino)hydroxylamine is sourced from PubChem (CID 152738996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).