N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine

C12H20N2S — CID 107756511

IUPACN-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine
SMILESCNc1cc(CSC(C)C(C)C)ccn1
InChIInChI=1S/C12H20N2S/c1-9(2)10(3)15-8-11-5-6-14-12(7-11)13-4/h5-7,9-10H,8H2,1-4H3,(H,13,14)
InChIKeyKHDMXRAMXMMWNE-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.40
Rot. Bonds5

About N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine

N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine (PubChem CID 107756511) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine
PubChem CID107756511
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine
SMILESCNc1cc(CSC(C)C(C)C)ccn1
InChIInChI=1S/C12H20N2S/c1-9(2)10(3)15-8-11-5-6-14-12(7-11)13-4/h5-7,9-10H,8H2,1-4H3,(H,13,14)
InChIKeyKHDMXRAMXMMWNE-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine (CID 107756511) is N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine is CNc1cc(CSC(C)C(C)C)ccn1.
What is the InChIKey of N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine?
The InChIKey is KHDMXRAMXMMWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9(2)10(3)15-8-11-5-6-14-12(7-11)13-4/h5-7,9-10H,8H2,1-4H3,(H,13,14).
What are the key properties of N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine?
N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 107756511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).