(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine

C11H18N2S — CID 102545780

IUPAC(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine
SMILESCc1cc(SC(C)(C)C)ncc1CN
InChIInChI=1S/C11H18N2S/c1-8-5-10(14-11(2,3)4)13-7-9(8)6-12/h5,7H,6,12H2,1-4H3
InChIKeyCCBSTPIMZPXTIS-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.74
Rot. Bonds2

About (6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine

(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine (PubChem CID 102545780) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is (6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine
PubChem CID102545780
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine
SMILESCc1cc(SC(C)(C)C)ncc1CN
InChIInChI=1S/C11H18N2S/c1-8-5-10(14-11(2,3)4)13-7-9(8)6-12/h5,7H,6,12H2,1-4H3
InChIKeyCCBSTPIMZPXTIS-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine?
The IUPAC name of (6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine (CID 102545780) is (6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine is Cc1cc(SC(C)(C)C)ncc1CN.
What is the InChIKey of (6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine?
The InChIKey is CCBSTPIMZPXTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-5-10(14-11(2,3)4)13-7-9(8)6-12/h5,7H,6,12H2,1-4H3.
What are the key properties of (6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine?
(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine has a molecular weight of 210.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 102545780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).