N-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

C13H26N2S — CID 63957635

IUPACN-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CC(C)CSC
InChIInChI=1S/C13H26N2S/c1-10(9-16-3)8-15-12-4-5-13(15)7-11(6-12)14-2/h10-14H,4-9H2,1-3H3
InChIKeyFUNOOVXFOLFWMA-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.20
Rot. Bonds5

About N-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 63957635) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID63957635
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CC(C)CSC
InChIInChI=1S/C13H26N2S/c1-10(9-16-3)8-15-12-4-5-13(15)7-11(6-12)14-2/h10-14H,4-9H2,1-3H3
InChIKeyFUNOOVXFOLFWMA-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 63957635) is N-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2CC(C)CSC.
What is the InChIKey of N-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FUNOOVXFOLFWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-10(9-16-3)8-15-12-4-5-13(15)7-11(6-12)14-2/h10-14H,4-9H2,1-3H3.
What are the key properties of N-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 242.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 63957635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).