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

C11H24N2S — CID 106425395

IUPACN'-tert-butyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine
SMILESC=CCSCCNCCNC(C)(C)C
InChIInChI=1S/C11H24N2S/c1-5-9-14-10-8-12-6-7-13-11(2,3)4/h5,12-13H,1,6-10H2,2-4H3
InChIKeyDFKNAELZKQWUPX-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.88
Rot. Bonds8

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

N'-tert-butyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine (PubChem CID 106425395) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N'-tert-butyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine
PubChem CID106425395
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN'-tert-butyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine
SMILESC=CCSCCNCCNC(C)(C)C
InChIInChI=1S/C11H24N2S/c1-5-9-14-10-8-12-6-7-13-11(2,3)4/h5,12-13H,1,6-10H2,2-4H3
InChIKeyDFKNAELZKQWUPX-UHFFFAOYSA-N
XLogP1.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
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'-tert-butyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine (CID 106425395) is N'-tert-butyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine is C=CCSCCNCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is DFKNAELZKQWUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-5-9-14-10-8-12-6-7-13-11(2,3)4/h5,12-13H,1,6-10H2,2-4H3.
What are the key properties of N'-tert-butyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine?
N'-tert-butyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 106425395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).