3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine

C10H23NOS — CID 62579302

IUPAC3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine
SMILESCCOCCCNCCSC(C)C
InChIInChI=1S/C10H23NOS/c1-4-12-8-5-6-11-7-9-13-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyYOFLUHVRLFVASV-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.14
Rot. Bonds9

About 3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine

3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine (PubChem CID 62579302) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine
PubChem CID62579302
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine
SMILESCCOCCCNCCSC(C)C
InChIInChI=1S/C10H23NOS/c1-4-12-8-5-6-11-7-9-13-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyYOFLUHVRLFVASV-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.14
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 3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine (CID 62579302) is 3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine is CCOCCCNCCSC(C)C.
What is the InChIKey of 3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine?
The InChIKey is YOFLUHVRLFVASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-4-12-8-5-6-11-7-9-13-10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine?
3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine has a molecular weight of 205.37 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 62579302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).