4-(hydroxyamino)butylazanium

C4H13N2O+ — CID 91820388

IUPAC4-(hydroxyamino)butylazanium
SMILES[NH3+]CCCCNO
InChIInChI=1S/C4H12N2O/c5-3-1-2-4-6-7/h6-7H,1-5H2/p+1
InChIKeyBKPWWGCYCSOYNQ-UHFFFAOYSA-O
MW105.16 g/mol
LogP-1.01
Rot. Bonds4

About 4-(hydroxyamino)butylazanium

4-(hydroxyamino)butylazanium (PubChem CID 91820388) has the molecular formula C4H13N2O+ and a molecular weight of 105.16 g/mol. Its IUPAC name is 4-(hydroxyamino)butylazanium.

Molecular Properties

Compound Name4-(hydroxyamino)butylazanium
PubChem CID91820388
Molecular FormulaC4H13N2O+
Molecular Weight105.16 g/mol
Exact Mass105.10
IUPAC Name4-(hydroxyamino)butylazanium
SMILES[NH3+]CCCCNO
InChIInChI=1S/C4H12N2O/c5-3-1-2-4-6-7/h6-7H,1-5H2/p+1
InChIKeyBKPWWGCYCSOYNQ-UHFFFAOYSA-O
XLogP-1.01
TPSA59.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 4-(hydroxyamino)butylazanium?
The IUPAC name of 4-(hydroxyamino)butylazanium (CID 91820388) is 4-(hydroxyamino)butylazanium.
What is the SMILES notation for 4-(hydroxyamino)butylazanium?
The canonical SMILES for 4-(hydroxyamino)butylazanium is [NH3+]CCCCNO.
What is the InChIKey of 4-(hydroxyamino)butylazanium?
The InChIKey is BKPWWGCYCSOYNQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H12N2O/c5-3-1-2-4-6-7/h6-7H,1-5H2/p+1.
What are the key properties of 4-(hydroxyamino)butylazanium?
4-(hydroxyamino)butylazanium has a molecular weight of 105.16 g/mol, XLogP of -1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxyamino)butylazanium is sourced from PubChem (CID 91820388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).