3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine

C8H20N2OS — CID 103482719

IUPAC3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine
SMILESCC(CN)CSCCOCCN
InChIInChI=1S/C8H20N2OS/c1-8(6-10)7-12-5-4-11-3-2-9/h8H,2-7,9-10H2,1H3
InChIKeyLTBFCOULTWHXAG-UHFFFAOYSA-N
MW192.33 g/mol
LogP0.29
Rot. Bonds8

About 3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine

3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine (PubChem CID 103482719) has the molecular formula C8H20N2OS and a molecular weight of 192.33 g/mol. Its IUPAC name is 3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine
PubChem CID103482719
Molecular FormulaC8H20N2OS
Molecular Weight192.33 g/mol
Exact Mass192.13
IUPAC Name3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine
SMILESCC(CN)CSCCOCCN
InChIInChI=1S/C8H20N2OS/c1-8(6-10)7-12-5-4-11-3-2-9/h8H,2-7,9-10H2,1H3
InChIKeyLTBFCOULTWHXAG-UHFFFAOYSA-N
XLogP0.29
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine?
The IUPAC name of 3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine (CID 103482719) is 3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine is CC(CN)CSCCOCCN.
What is the InChIKey of 3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine?
The InChIKey is LTBFCOULTWHXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2OS/c1-8(6-10)7-12-5-4-11-3-2-9/h8H,2-7,9-10H2,1H3.
What are the key properties of 3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine?
3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine has a molecular weight of 192.33 g/mol, XLogP of 0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103482719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).