3-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)propan-1-amine

C10H23NOS — CID 87783166

IUPAC3-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)propan-1-amine
SMILESCSC(C)NCCCOC(C)(C)C
InChIInChI=1S/C10H23NOS/c1-9(13-5)11-7-6-8-12-10(2,3)4/h9,11H,6-8H2,1-5H3
InChIKeyJQLKRHLMZUTFOL-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.49
Rot. Bonds6

About 3-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)propan-1-amine

3-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)propan-1-amine (PubChem CID 87783166) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)propan-1-amine
PubChem CID87783166
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)propan-1-amine
SMILESCSC(C)NCCCOC(C)(C)C
InChIInChI=1S/C10H23NOS/c1-9(13-5)11-7-6-8-12-10(2,3)4/h9,11H,6-8H2,1-5H3
InChIKeyJQLKRHLMZUTFOL-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)propan-1-amine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)propan-1-amine (CID 87783166) is 3-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)propan-1-amine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)propan-1-amine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)propan-1-amine is CSC(C)NCCCOC(C)(C)C.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)propan-1-amine?
The InChIKey is JQLKRHLMZUTFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-9(13-5)11-7-6-8-12-10(2,3)4/h9,11H,6-8H2,1-5H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)propan-1-amine?
3-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)propan-1-amine has a molecular weight of 205.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 87783166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).