N-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine

C10H21F3N2S — CID 116616259

IUPACN-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)CCSC(F)(F)F
InChIInChI=1S/C10H21F3N2S/c1-9(2,3)14-5-6-15(4)7-8-16-10(11,12)13/h14H,5-8H2,1-4H3
InChIKeyCZXSPQMBPJQSSQ-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.56
Rot. Bonds6

About N-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine

N-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine (PubChem CID 116616259) has the molecular formula C10H21F3N2S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine
PubChem CID116616259
Molecular FormulaC10H21F3N2S
Molecular Weight258.35 g/mol
Exact Mass258.14
IUPAC NameN-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)CCSC(F)(F)F
InChIInChI=1S/C10H21F3N2S/c1-9(2,3)14-5-6-15(4)7-8-16-10(11,12)13/h14H,5-8H2,1-4H3
InChIKeyCZXSPQMBPJQSSQ-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine (CID 116616259) is N-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine is CN(CCNC(C)(C)C)CCSC(F)(F)F.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine?
The InChIKey is CZXSPQMBPJQSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2S/c1-9(2,3)14-5-6-15(4)7-8-16-10(11,12)13/h14H,5-8H2,1-4H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine?
N-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine has a molecular weight of 258.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 116616259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).