1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine

C13H22N2S — CID 80650884

IUPAC1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine
SMILESCc1cc(CC(C)N)cnc1SCC(C)C
InChIInChI=1S/C13H22N2S/c1-9(2)8-16-13-10(3)5-12(7-15-13)6-11(4)14/h5,7,9,11H,6,8,14H2,1-4H3
InChIKeyFPRIUYNGOUHTOX-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.03
Rot. Bonds5

About 1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine

1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine (PubChem CID 80650884) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine
PubChem CID80650884
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine
SMILESCc1cc(CC(C)N)cnc1SCC(C)C
InChIInChI=1S/C13H22N2S/c1-9(2)8-16-13-10(3)5-12(7-15-13)6-11(4)14/h5,7,9,11H,6,8,14H2,1-4H3
InChIKeyFPRIUYNGOUHTOX-UHFFFAOYSA-N
XLogP3.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine (CID 80650884) is 1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine is Cc1cc(CC(C)N)cnc1SCC(C)C.
What is the InChIKey of 1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine?
The InChIKey is FPRIUYNGOUHTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9(2)8-16-13-10(3)5-12(7-15-13)6-11(4)14/h5,7,9,11H,6,8,14H2,1-4H3.
What are the key properties of 1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine?
1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80650884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).