N,4-diethyl-1-propan-2-ylsulfanyloctan-2-amine

C15H33NS — CID 65131439

IUPACN,4-diethyl-1-propan-2-ylsulfanyloctan-2-amine
SMILESCCCCC(CC)CC(CSC(C)C)NCC
InChIInChI=1S/C15H33NS/c1-6-9-10-14(7-2)11-15(16-8-3)12-17-13(4)5/h13-16H,6-12H2,1-5H3
InChIKeyJHSPWWMPZJCAHU-UHFFFAOYSA-N
MW259.50 g/mol
LogP4.71
Rot. Bonds11

About N,4-diethyl-1-propan-2-ylsulfanyloctan-2-amine

N,4-diethyl-1-propan-2-ylsulfanyloctan-2-amine (PubChem CID 65131439) has the molecular formula C15H33NS and a molecular weight of 259.50 g/mol. Its IUPAC name is N,4-diethyl-1-propan-2-ylsulfanyloctan-2-amine.

Molecular Properties

Compound NameN,4-diethyl-1-propan-2-ylsulfanyloctan-2-amine
PubChem CID65131439
Molecular FormulaC15H33NS
Molecular Weight259.50 g/mol
Exact Mass259.23
IUPAC NameN,4-diethyl-1-propan-2-ylsulfanyloctan-2-amine
SMILESCCCCC(CC)CC(CSC(C)C)NCC
InChIInChI=1S/C15H33NS/c1-6-9-10-14(7-2)11-15(16-8-3)12-17-13(4)5/h13-16H,6-12H2,1-5H3
InChIKeyJHSPWWMPZJCAHU-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
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 N,4-diethyl-1-propan-2-ylsulfanyloctan-2-amine?
The IUPAC name of N,4-diethyl-1-propan-2-ylsulfanyloctan-2-amine (CID 65131439) is N,4-diethyl-1-propan-2-ylsulfanyloctan-2-amine.
What is the SMILES notation for N,4-diethyl-1-propan-2-ylsulfanyloctan-2-amine?
The canonical SMILES for N,4-diethyl-1-propan-2-ylsulfanyloctan-2-amine is CCCCC(CC)CC(CSC(C)C)NCC.
What is the InChIKey of N,4-diethyl-1-propan-2-ylsulfanyloctan-2-amine?
The InChIKey is JHSPWWMPZJCAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NS/c1-6-9-10-14(7-2)11-15(16-8-3)12-17-13(4)5/h13-16H,6-12H2,1-5H3.
What are the key properties of N,4-diethyl-1-propan-2-ylsulfanyloctan-2-amine?
N,4-diethyl-1-propan-2-ylsulfanyloctan-2-amine has a molecular weight of 259.50 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-1-propan-2-ylsulfanyloctan-2-amine is sourced from PubChem (CID 65131439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).