N,4-diethyl-1-propylsulfanyloctan-2-amine

C15H33NS — CID 65128628

IUPACN,4-diethyl-1-propylsulfanyloctan-2-amine
SMILESCCCCC(CC)CC(CSCCC)NCC
InChIInChI=1S/C15H33NS/c1-5-9-10-14(7-3)12-15(16-8-4)13-17-11-6-2/h14-16H,5-13H2,1-4H3
InChIKeyRZNNXLPUSVXVOG-UHFFFAOYSA-N
MW259.50 g/mol
LogP4.71
Rot. Bonds12

About N,4-diethyl-1-propylsulfanyloctan-2-amine

N,4-diethyl-1-propylsulfanyloctan-2-amine (PubChem CID 65128628) has the molecular formula C15H33NS and a molecular weight of 259.50 g/mol. Its IUPAC name is N,4-diethyl-1-propylsulfanyloctan-2-amine.

Molecular Properties

Compound NameN,4-diethyl-1-propylsulfanyloctan-2-amine
PubChem CID65128628
Molecular FormulaC15H33NS
Molecular Weight259.50 g/mol
Exact Mass259.23
IUPAC NameN,4-diethyl-1-propylsulfanyloctan-2-amine
SMILESCCCCC(CC)CC(CSCCC)NCC
InChIInChI=1S/C15H33NS/c1-5-9-10-14(7-3)12-15(16-8-4)13-17-11-6-2/h14-16H,5-13H2,1-4H3
InChIKeyRZNNXLPUSVXVOG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,4-diethyl-1-propylsulfanyloctan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-1-propylsulfanyloctan-2-amine?
The IUPAC name of N,4-diethyl-1-propylsulfanyloctan-2-amine (CID 65128628) is N,4-diethyl-1-propylsulfanyloctan-2-amine.
What is the SMILES notation for N,4-diethyl-1-propylsulfanyloctan-2-amine?
The canonical SMILES for N,4-diethyl-1-propylsulfanyloctan-2-amine is CCCCC(CC)CC(CSCCC)NCC.
What is the InChIKey of N,4-diethyl-1-propylsulfanyloctan-2-amine?
The InChIKey is RZNNXLPUSVXVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NS/c1-5-9-10-14(7-3)12-15(16-8-4)13-17-11-6-2/h14-16H,5-13H2,1-4H3.
What are the key properties of N,4-diethyl-1-propylsulfanyloctan-2-amine?
N,4-diethyl-1-propylsulfanyloctan-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 N,4-diethyl-1-propylsulfanyloctan-2-amine is sourced from PubChem (CID 65128628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).