N-(1-aminobutan-2-yl)hydroxylamine

C4H12N2O — CID 19042696

IUPACN-(1-aminobutan-2-yl)hydroxylamine
SMILESCCC(CN)NO
InChIInChI=1S/C4H12N2O/c1-2-4(3-5)6-7/h4,6-7H,2-3,5H2,1H3
InChIKeyWOCKHJDVYOFNSH-UHFFFAOYSA-N
MW104.15 g/mol
LogP-0.30
Rot. Bonds3

About N-(1-aminobutan-2-yl)hydroxylamine

N-(1-aminobutan-2-yl)hydroxylamine (PubChem CID 19042696) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)hydroxylamine
PubChem CID19042696
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC NameN-(1-aminobutan-2-yl)hydroxylamine
SMILESCCC(CN)NO
InChIInChI=1S/C4H12N2O/c1-2-4(3-5)6-7/h4,6-7H,2-3,5H2,1H3
InChIKeyWOCKHJDVYOFNSH-UHFFFAOYSA-N
XLogP-0.30
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-(1-aminobutan-2-yl)hydroxylamine?
The IUPAC name of N-(1-aminobutan-2-yl)hydroxylamine (CID 19042696) is N-(1-aminobutan-2-yl)hydroxylamine.
What is the SMILES notation for N-(1-aminobutan-2-yl)hydroxylamine?
The canonical SMILES for N-(1-aminobutan-2-yl)hydroxylamine is CCC(CN)NO.
What is the InChIKey of N-(1-aminobutan-2-yl)hydroxylamine?
The InChIKey is WOCKHJDVYOFNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c1-2-4(3-5)6-7/h4,6-7H,2-3,5H2,1H3.
What are the key properties of N-(1-aminobutan-2-yl)hydroxylamine?
N-(1-aminobutan-2-yl)hydroxylamine has a molecular weight of 104.15 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)hydroxylamine is sourced from PubChem (CID 19042696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).