N'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine

C8H20N2S — CID 23422652

IUPACN'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine
SMILESCC(C)(C)SCCNCCN
InChIInChI=1S/C8H20N2S/c1-8(2,3)11-7-6-10-5-4-9/h10H,4-7,9H2,1-3H3
InChIKeyFDKAFJNGAUYHNS-UHFFFAOYSA-N
MW176.33 g/mol
LogP1.07
Rot. Bonds5

About N'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine

N'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine (PubChem CID 23422652) has the molecular formula C8H20N2S and a molecular weight of 176.33 g/mol. Its IUPAC name is N'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine
PubChem CID23422652
Molecular FormulaC8H20N2S
Molecular Weight176.33 g/mol
Exact Mass176.13
IUPAC NameN'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine
SMILESCC(C)(C)SCCNCCN
InChIInChI=1S/C8H20N2S/c1-8(2,3)11-7-6-10-5-4-9/h10H,4-7,9H2,1-3H3
InChIKeyFDKAFJNGAUYHNS-UHFFFAOYSA-N
XLogP1.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine 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'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine (CID 23422652) is N'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine is CC(C)(C)SCCNCCN.
What is the InChIKey of N'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is FDKAFJNGAUYHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S/c1-8(2,3)11-7-6-10-5-4-9/h10H,4-7,9H2,1-3H3.
What are the key properties of N'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine?
N'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 176.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 23422652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).