(2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine

C13H22N2S — CID 19086250

IUPAC(2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine
SMILESCCc1cc(CN)c(SC(C)(C)C)nc1C
InChIInChI=1S/C13H22N2S/c1-6-10-7-11(8-14)12(15-9(10)2)16-13(3,4)5/h7H,6,8,14H2,1-5H3
InChIKeyOZKDBWYCPVWUHG-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.30
Rot. Bonds3

About (2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine

(2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine (PubChem CID 19086250) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is (2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine
PubChem CID19086250
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name(2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine
SMILESCCc1cc(CN)c(SC(C)(C)C)nc1C
InChIInChI=1S/C13H22N2S/c1-6-10-7-11(8-14)12(15-9(10)2)16-13(3,4)5/h7H,6,8,14H2,1-5H3
InChIKeyOZKDBWYCPVWUHG-UHFFFAOYSA-N
XLogP3.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine?
The IUPAC name of (2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine (CID 19086250) is (2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine is CCc1cc(CN)c(SC(C)(C)C)nc1C.
What is the InChIKey of (2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine?
The InChIKey is OZKDBWYCPVWUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-6-10-7-11(8-14)12(15-9(10)2)16-13(3,4)5/h7H,6,8,14H2,1-5H3.
What are the key properties of (2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine?
(2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine has a molecular weight of 238.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 19086250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).