N-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine

C10H20N2S — CID 79503430

IUPACN-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCSCC(C)CNC1=NCCCC1
InChIInChI=1S/C10H20N2S/c1-9(8-13-2)7-12-10-5-3-4-6-11-10/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyNUNUAXNTYVSDST-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.16
Rot. Bonds4

About N-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79503430) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79503430
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCSCC(C)CNC1=NCCCC1
InChIInChI=1S/C10H20N2S/c1-9(8-13-2)7-12-10-5-3-4-6-11-10/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyNUNUAXNTYVSDST-UHFFFAOYSA-N
XLogP2.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 79503430) is N-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine is CSCC(C)CNC1=NCCCC1.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is NUNUAXNTYVSDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-9(8-13-2)7-12-10-5-3-4-6-11-10/h9H,3-8H2,1-2H3,(H,11,12).
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 200.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79503430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).