N',N'-diethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine

C11H24N2S — CID 106427562

IUPACN',N'-diethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine
SMILESC=CCSCCNCCN(CC)CC
InChIInChI=1S/C11H24N2S/c1-4-10-14-11-8-12-7-9-13(5-2)6-3/h4,12H,1,5-11H2,2-3H3
InChIKeyJDUJPEOMHXGXFC-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.84
Rot. Bonds10

About N',N'-diethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine

N',N'-diethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine (PubChem CID 106427562) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine
PubChem CID106427562
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN',N'-diethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine
SMILESC=CCSCCNCCN(CC)CC
InChIInChI=1S/C11H24N2S/c1-4-10-14-11-8-12-7-9-13(5-2)6-3/h4,12H,1,5-11H2,2-3H3
InChIKeyJDUJPEOMHXGXFC-UHFFFAOYSA-N
XLogP1.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine (CID 106427562) is N',N'-diethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine is C=CCSCCNCCN(CC)CC.
What is the InChIKey of N',N'-diethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is JDUJPEOMHXGXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-4-10-14-11-8-12-7-9-13(5-2)6-3/h4,12H,1,5-11H2,2-3H3.
What are the key properties of N',N'-diethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine?
N',N'-diethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 106427562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).