O-[3-[butyl(ethyl)amino]propyl]hydroxylamine

C9H22N2O — CID 14880869

IUPACO-[3-[butyl(ethyl)amino]propyl]hydroxylamine
SMILESCCCCN(CC)CCCON
InChIInChI=1S/C9H22N2O/c1-3-5-7-11(4-2)8-6-9-12-10/h3-10H2,1-2H3
InChIKeyHGGNZQOBSQBNHK-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.39
Rot. Bonds8

About O-[3-[butyl(ethyl)amino]propyl]hydroxylamine

O-[3-[butyl(ethyl)amino]propyl]hydroxylamine (PubChem CID 14880869) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is O-[3-[butyl(ethyl)amino]propyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-[butyl(ethyl)amino]propyl]hydroxylamine
PubChem CID14880869
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC NameO-[3-[butyl(ethyl)amino]propyl]hydroxylamine
SMILESCCCCN(CC)CCCON
InChIInChI=1S/C9H22N2O/c1-3-5-7-11(4-2)8-6-9-12-10/h3-10H2,1-2H3
InChIKeyHGGNZQOBSQBNHK-UHFFFAOYSA-N
XLogP1.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
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-[butyl(ethyl)amino]propyl]hydroxylamine?
The IUPAC name of O-[3-[butyl(ethyl)amino]propyl]hydroxylamine (CID 14880869) is O-[3-[butyl(ethyl)amino]propyl]hydroxylamine.
What is the SMILES notation for O-[3-[butyl(ethyl)amino]propyl]hydroxylamine?
The canonical SMILES for O-[3-[butyl(ethyl)amino]propyl]hydroxylamine is CCCCN(CC)CCCON.
What is the InChIKey of O-[3-[butyl(ethyl)amino]propyl]hydroxylamine?
The InChIKey is HGGNZQOBSQBNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-3-5-7-11(4-2)8-6-9-12-10/h3-10H2,1-2H3.
What are the key properties of O-[3-[butyl(ethyl)amino]propyl]hydroxylamine?
O-[3-[butyl(ethyl)amino]propyl]hydroxylamine has a molecular weight of 174.29 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-[butyl(ethyl)amino]propyl]hydroxylamine is sourced from PubChem (CID 14880869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).