2-[3-(2-methylpropoxy)propylsulfanyl]ethanamine

C9H21NOS — CID 23554285

IUPAC2-[3-(2-methylpropoxy)propylsulfanyl]ethanamine
SMILESCC(C)COCCCSCCN
InChIInChI=1S/C9H21NOS/c1-9(2)8-11-5-3-6-12-7-4-10/h9H,3-8,10H2,1-2H3
InChIKeyMAWKUTGMTSQQDG-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.74
Rot. Bonds8

About 2-[3-(2-methylpropoxy)propylsulfanyl]ethanamine

2-[3-(2-methylpropoxy)propylsulfanyl]ethanamine (PubChem CID 23554285) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 2-[3-(2-methylpropoxy)propylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-methylpropoxy)propylsulfanyl]ethanamine
PubChem CID23554285
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name2-[3-(2-methylpropoxy)propylsulfanyl]ethanamine
SMILESCC(C)COCCCSCCN
InChIInChI=1S/C9H21NOS/c1-9(2)8-11-5-3-6-12-7-4-10/h9H,3-8,10H2,1-2H3
InChIKeyMAWKUTGMTSQQDG-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.74
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 2-[3-(2-methylpropoxy)propylsulfanyl]ethanamine?
The IUPAC name of 2-[3-(2-methylpropoxy)propylsulfanyl]ethanamine (CID 23554285) is 2-[3-(2-methylpropoxy)propylsulfanyl]ethanamine.
What is the SMILES notation for 2-[3-(2-methylpropoxy)propylsulfanyl]ethanamine?
The canonical SMILES for 2-[3-(2-methylpropoxy)propylsulfanyl]ethanamine is CC(C)COCCCSCCN.
What is the InChIKey of 2-[3-(2-methylpropoxy)propylsulfanyl]ethanamine?
The InChIKey is MAWKUTGMTSQQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-9(2)8-11-5-3-6-12-7-4-10/h9H,3-8,10H2,1-2H3.
What are the key properties of 2-[3-(2-methylpropoxy)propylsulfanyl]ethanamine?
2-[3-(2-methylpropoxy)propylsulfanyl]ethanamine has a molecular weight of 191.34 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropoxy)propylsulfanyl]ethanamine is sourced from PubChem (CID 23554285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).