N-[3-(butylamino)propyl]-N-ethylthiohydroxylamine

C9H22N2S — CID 88966899

IUPACN-[3-(butylamino)propyl]-N-ethylthiohydroxylamine
SMILESCCCCNCCCN(S)CC
InChIInChI=1S/C9H22N2S/c1-3-5-7-10-8-6-9-11(12)4-2/h10,12H,3-9H2,1-2H3
InChIKeyUZZCTUISHORRPT-UHFFFAOYSA-N
MW190.36 g/mol
LogP1.93
Rot. Bonds8

About N-[3-(butylamino)propyl]-N-ethylthiohydroxylamine

N-[3-(butylamino)propyl]-N-ethylthiohydroxylamine (PubChem CID 88966899) has the molecular formula C9H22N2S and a molecular weight of 190.36 g/mol. Its IUPAC name is N-[3-(butylamino)propyl]-N-ethylthiohydroxylamine.

Molecular Properties

Compound NameN-[3-(butylamino)propyl]-N-ethylthiohydroxylamine
PubChem CID88966899
Molecular FormulaC9H22N2S
Molecular Weight190.36 g/mol
Exact Mass190.15
IUPAC NameN-[3-(butylamino)propyl]-N-ethylthiohydroxylamine
SMILESCCCCNCCCN(S)CC
InChIInChI=1S/C9H22N2S/c1-3-5-7-10-8-6-9-11(12)4-2/h10,12H,3-9H2,1-2H3
InChIKeyUZZCTUISHORRPT-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[3-(butylamino)propyl]-N-ethylthiohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylamino)propyl]-N-ethylthiohydroxylamine?
The IUPAC name of N-[3-(butylamino)propyl]-N-ethylthiohydroxylamine (CID 88966899) is N-[3-(butylamino)propyl]-N-ethylthiohydroxylamine.
What is the SMILES notation for N-[3-(butylamino)propyl]-N-ethylthiohydroxylamine?
The canonical SMILES for N-[3-(butylamino)propyl]-N-ethylthiohydroxylamine is CCCCNCCCN(S)CC.
What is the InChIKey of N-[3-(butylamino)propyl]-N-ethylthiohydroxylamine?
The InChIKey is UZZCTUISHORRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2S/c1-3-5-7-10-8-6-9-11(12)4-2/h10,12H,3-9H2,1-2H3.
What are the key properties of N-[3-(butylamino)propyl]-N-ethylthiohydroxylamine?
N-[3-(butylamino)propyl]-N-ethylthiohydroxylamine has a molecular weight of 190.36 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylamino)propyl]-N-ethylthiohydroxylamine is sourced from PubChem (CID 88966899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).