N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C15H23NS — CID 63981089

IUPACN-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCSCC(C)CNC1CCCc2ccccc21
InChIInChI=1S/C15H23NS/c1-12(11-17-2)10-16-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15-16H,5,7,9-11H2,1-2H3
InChIKeyXXFXOQCUMYOJNE-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.65
Rot. Bonds5

About N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 63981089) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID63981089
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCSCC(C)CNC1CCCc2ccccc21
InChIInChI=1S/C15H23NS/c1-12(11-17-2)10-16-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15-16H,5,7,9-11H2,1-2H3
InChIKeyXXFXOQCUMYOJNE-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 63981089) is N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CSCC(C)CNC1CCCc2ccccc21.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XXFXOQCUMYOJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12(11-17-2)10-16-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15-16H,5,7,9-11H2,1-2H3.
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 63981089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).