1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine

C14H22N2S — CID 80650745

IUPAC1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(SCC2CCCC2)c(C)c1
InChIInChI=1S/C14H22N2S/c1-11-7-13(8-15-2)9-16-14(11)17-10-12-5-3-4-6-12/h7,9,12,15H,3-6,8,10H2,1-2H3
InChIKeyPAMDDGBTXUFEPX-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.39
Rot. Bonds5

About 1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine

1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 80650745) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID80650745
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(SCC2CCCC2)c(C)c1
InChIInChI=1S/C14H22N2S/c1-11-7-13(8-15-2)9-16-14(11)17-10-12-5-3-4-6-12/h7,9,12,15H,3-6,8,10H2,1-2H3
InChIKeyPAMDDGBTXUFEPX-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine (CID 80650745) is 1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(SCC2CCCC2)c(C)c1.
What is the InChIKey of 1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is PAMDDGBTXUFEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11-7-13(8-15-2)9-16-14(11)17-10-12-5-3-4-6-12/h7,9,12,15H,3-6,8,10H2,1-2H3.
What are the key properties of 1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 250.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 80650745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).