O-[3-(butylamino)propyl]hydroxylamine

C7H18N2O — CID 59259668

IUPACO-[3-(butylamino)propyl]hydroxylamine
SMILESCCCCNCCCON
InChIInChI=1S/C7H18N2O/c1-2-3-5-9-6-4-7-10-8/h9H,2-8H2,1H3
InChIKeyAPYGCLZIHBYALL-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.66
Rot. Bonds7

About O-[3-(butylamino)propyl]hydroxylamine

O-[3-(butylamino)propyl]hydroxylamine (PubChem CID 59259668) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is O-[3-(butylamino)propyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-(butylamino)propyl]hydroxylamine
PubChem CID59259668
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC NameO-[3-(butylamino)propyl]hydroxylamine
SMILESCCCCNCCCON
InChIInChI=1S/C7H18N2O/c1-2-3-5-9-6-4-7-10-8/h9H,2-8H2,1H3
InChIKeyAPYGCLZIHBYALL-UHFFFAOYSA-N
XLogP0.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.66
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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Frequently Asked Questions

What is the IUPAC name of O-[3-(butylamino)propyl]hydroxylamine?
The IUPAC name of O-[3-(butylamino)propyl]hydroxylamine (CID 59259668) is O-[3-(butylamino)propyl]hydroxylamine.
What is the SMILES notation for O-[3-(butylamino)propyl]hydroxylamine?
The canonical SMILES for O-[3-(butylamino)propyl]hydroxylamine is CCCCNCCCON.
What is the InChIKey of O-[3-(butylamino)propyl]hydroxylamine?
The InChIKey is APYGCLZIHBYALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-2-3-5-9-6-4-7-10-8/h9H,2-8H2,1H3.
What are the key properties of O-[3-(butylamino)propyl]hydroxylamine?
O-[3-(butylamino)propyl]hydroxylamine has a molecular weight of 146.23 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-(butylamino)propyl]hydroxylamine is sourced from PubChem (CID 59259668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).