N'-(2-propylsulfanylethyl)ethane-1,2-diamine

C7H18N2S — CID 11171146

IUPACN'-(2-propylsulfanylethyl)ethane-1,2-diamine
SMILESCCCSCCNCCN
InChIInChI=1S/C7H18N2S/c1-2-6-10-7-5-9-4-3-8/h9H,2-8H2,1H3
InChIKeyXWTOAJSHGWWDPM-UHFFFAOYSA-N
MW162.30 g/mol
LogP0.68
Rot. Bonds7

About N'-(2-propylsulfanylethyl)ethane-1,2-diamine

N'-(2-propylsulfanylethyl)ethane-1,2-diamine (PubChem CID 11171146) has the molecular formula C7H18N2S and a molecular weight of 162.30 g/mol. Its IUPAC name is N'-(2-propylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-propylsulfanylethyl)ethane-1,2-diamine
PubChem CID11171146
Molecular FormulaC7H18N2S
Molecular Weight162.30 g/mol
Exact Mass162.12
IUPAC NameN'-(2-propylsulfanylethyl)ethane-1,2-diamine
SMILESCCCSCCNCCN
InChIInChI=1S/C7H18N2S/c1-2-6-10-7-5-9-4-3-8/h9H,2-8H2,1H3
InChIKeyXWTOAJSHGWWDPM-UHFFFAOYSA-N
XLogP0.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-propylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-propylsulfanylethyl)ethane-1,2-diamine (CID 11171146) is N'-(2-propylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-propylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-propylsulfanylethyl)ethane-1,2-diamine is CCCSCCNCCN.
What is the InChIKey of N'-(2-propylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is XWTOAJSHGWWDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2S/c1-2-6-10-7-5-9-4-3-8/h9H,2-8H2,1H3.
What are the key properties of N'-(2-propylsulfanylethyl)ethane-1,2-diamine?
N'-(2-propylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 162.30 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-propylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 11171146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).