1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine

C11H18N2S — CID 83124206

IUPAC1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine
SMILESCC(N)c1ccc(SC(C)(C)C)cn1
InChIInChI=1S/C11H18N2S/c1-8(12)10-6-5-9(7-13-10)14-11(2,3)4/h5-8H,12H2,1-4H3
InChIKeyFGBSSXKWNRAMPJ-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.99
Rot. Bonds2

About 1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine

1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine (PubChem CID 83124206) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine
PubChem CID83124206
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine
SMILESCC(N)c1ccc(SC(C)(C)C)cn1
InChIInChI=1S/C11H18N2S/c1-8(12)10-6-5-9(7-13-10)14-11(2,3)4/h5-8H,12H2,1-4H3
InChIKeyFGBSSXKWNRAMPJ-UHFFFAOYSA-N
XLogP2.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine (CID 83124206) is 1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine is CC(N)c1ccc(SC(C)(C)C)cn1.
What is the InChIKey of 1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine?
The InChIKey is FGBSSXKWNRAMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8(12)10-6-5-9(7-13-10)14-11(2,3)4/h5-8H,12H2,1-4H3.
What are the key properties of 1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine?
1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine has a molecular weight of 210.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 83124206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).