N'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine

C11H26N2S — CID 118584945

IUPACN'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCCN(CCNCCSC)C(C)(C)C
InChIInChI=1S/C11H26N2S/c1-6-13(11(2,3)4)9-7-12-8-10-14-5/h12H,6-10H2,1-5H3
InChIKeyNMVGHNQYXIPERH-UHFFFAOYSA-N
MW218.41 g/mol
LogP2.06
Rot. Bonds7

About N'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine

N'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 118584945) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is N'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID118584945
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC NameN'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCCN(CCNCCSC)C(C)(C)C
InChIInChI=1S/C11H26N2S/c1-6-13(11(2,3)4)9-7-12-8-10-14-5/h12H,6-10H2,1-5H3
InChIKeyNMVGHNQYXIPERH-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
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'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 118584945) is N'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is CCN(CCNCCSC)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is NMVGHNQYXIPERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S/c1-6-13(11(2,3)4)9-7-12-8-10-14-5/h12H,6-10H2,1-5H3.
What are the key properties of N'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
N'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 218.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 118584945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).