4-ethyl-1-ethylsulfanyl-N-propyloctan-2-amine

C15H33NS — CID 65128289

IUPAC4-ethyl-1-ethylsulfanyl-N-propyloctan-2-amine
SMILESCCCCC(CC)CC(CSCC)NCCC
InChIInChI=1S/C15H33NS/c1-5-9-10-14(7-3)12-15(13-17-8-4)16-11-6-2/h14-16H,5-13H2,1-4H3
InChIKeyRXXQGLZYBUOZGA-UHFFFAOYSA-N
MW259.50 g/mol
LogP4.71
Rot. Bonds12

About 4-ethyl-1-ethylsulfanyl-N-propyloctan-2-amine

4-ethyl-1-ethylsulfanyl-N-propyloctan-2-amine (PubChem CID 65128289) has the molecular formula C15H33NS and a molecular weight of 259.50 g/mol. Its IUPAC name is 4-ethyl-1-ethylsulfanyl-N-propyloctan-2-amine.

Molecular Properties

Compound Name4-ethyl-1-ethylsulfanyl-N-propyloctan-2-amine
PubChem CID65128289
Molecular FormulaC15H33NS
Molecular Weight259.50 g/mol
Exact Mass259.23
IUPAC Name4-ethyl-1-ethylsulfanyl-N-propyloctan-2-amine
SMILESCCCCC(CC)CC(CSCC)NCCC
InChIInChI=1S/C15H33NS/c1-5-9-10-14(7-3)12-15(13-17-8-4)16-11-6-2/h14-16H,5-13H2,1-4H3
InChIKeyRXXQGLZYBUOZGA-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-ethylsulfanyl-N-propyloctan-2-amine?
The IUPAC name of 4-ethyl-1-ethylsulfanyl-N-propyloctan-2-amine (CID 65128289) is 4-ethyl-1-ethylsulfanyl-N-propyloctan-2-amine.
What is the SMILES notation for 4-ethyl-1-ethylsulfanyl-N-propyloctan-2-amine?
The canonical SMILES for 4-ethyl-1-ethylsulfanyl-N-propyloctan-2-amine is CCCCC(CC)CC(CSCC)NCCC.
What is the InChIKey of 4-ethyl-1-ethylsulfanyl-N-propyloctan-2-amine?
The InChIKey is RXXQGLZYBUOZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NS/c1-5-9-10-14(7-3)12-15(13-17-8-4)16-11-6-2/h14-16H,5-13H2,1-4H3.
What are the key properties of 4-ethyl-1-ethylsulfanyl-N-propyloctan-2-amine?
4-ethyl-1-ethylsulfanyl-N-propyloctan-2-amine has a molecular weight of 259.50 g/mol, XLogP of 4.71, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-ethylsulfanyl-N-propyloctan-2-amine is sourced from PubChem (CID 65128289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).