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

C8H20N2S — CID 11275341

IUPACN'-(2-butylsulfanylethyl)ethane-1,2-diamine
SMILESCCCCSCCNCCN
InChIInChI=1S/C8H20N2S/c1-2-3-7-11-8-6-10-5-4-9/h10H,2-9H2,1H3
InChIKeyXPOTWOVLFBQSTI-UHFFFAOYSA-N
MW176.33 g/mol
LogP1.07
Rot. Bonds8

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

N'-(2-butylsulfanylethyl)ethane-1,2-diamine (PubChem CID 11275341) has the molecular formula C8H20N2S and a molecular weight of 176.33 g/mol. Its IUPAC name is N'-(2-butylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-butylsulfanylethyl)ethane-1,2-diamine
PubChem CID11275341
Molecular FormulaC8H20N2S
Molecular Weight176.33 g/mol
Exact Mass176.13
IUPAC NameN'-(2-butylsulfanylethyl)ethane-1,2-diamine
SMILESCCCCSCCNCCN
InChIInChI=1S/C8H20N2S/c1-2-3-7-11-8-6-10-5-4-9/h10H,2-9H2,1H3
InChIKeyXPOTWOVLFBQSTI-UHFFFAOYSA-N
XLogP1.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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'}

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Related Compounds

N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261792
2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine
CID 3428035
N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261849
2-butylsulfanyl-N-(2-butylsulfanylethyl)ethanamine;oxalic acid
CID 46786043
2-butylsulfanylethanamine;ethane
CID 145193609
3-[2-(hexylamino)ethylsulfanyl]propan-1-ol
CID 106309422
1-butylsulfanylbutane;hydroiodide
CID 160789075
CID 88794374
CID 88794374
N'-henicosylethane-1,2-diamine
CID 22930907
N'-docosylethane-1,2-diamine
CID 18783196
4-pentylsulfanylbutan-1-amine
CID 82180242
azane;N'-propylethane-1,2-diamine
CID 87476258

Frequently Asked Questions

What is the IUPAC name of N'-(2-butylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-butylsulfanylethyl)ethane-1,2-diamine (CID 11275341) is N'-(2-butylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-butylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-butylsulfanylethyl)ethane-1,2-diamine is CCCCSCCNCCN.
What is the InChIKey of N'-(2-butylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is XPOTWOVLFBQSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S/c1-2-3-7-11-8-6-10-5-4-9/h10H,2-9H2,1H3.
What are the key properties of N'-(2-butylsulfanylethyl)ethane-1,2-diamine?
N'-(2-butylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 176.33 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 11275341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).