N-(4-aminobutyl)hydroxylamine

C4H12N2O — CID 24883439

IUPACN-(4-aminobutyl)hydroxylamine
SMILESNCCCCNO
InChIInChI=1S/C4H12N2O/c5-3-1-2-4-6-7/h6-7H,1-5H2
InChIKeyBKPWWGCYCSOYNQ-UHFFFAOYSA-N
MW104.15 g/mol
LogP-0.30
Rot. Bonds4

About N-(4-aminobutyl)hydroxylamine

N-(4-aminobutyl)hydroxylamine (PubChem CID 24883439) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is N-(4-aminobutyl)hydroxylamine.

Molecular Properties

Compound NameN-(4-aminobutyl)hydroxylamine
PubChem CID24883439
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC NameN-(4-aminobutyl)hydroxylamine
SMILESNCCCCNO
InChIInChI=1S/C4H12N2O/c5-3-1-2-4-6-7/h6-7H,1-5H2
InChIKeyBKPWWGCYCSOYNQ-UHFFFAOYSA-N
XLogP-0.30
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)hydroxylamine?
The IUPAC name of N-(4-aminobutyl)hydroxylamine (CID 24883439) is N-(4-aminobutyl)hydroxylamine.
What is the SMILES notation for N-(4-aminobutyl)hydroxylamine?
The canonical SMILES for N-(4-aminobutyl)hydroxylamine is NCCCCNO.
What is the InChIKey of N-(4-aminobutyl)hydroxylamine?
The InChIKey is BKPWWGCYCSOYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c5-3-1-2-4-6-7/h6-7H,1-5H2.
What are the key properties of N-(4-aminobutyl)hydroxylamine?
N-(4-aminobutyl)hydroxylamine has a molecular weight of 104.15 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)hydroxylamine is sourced from PubChem (CID 24883439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).