2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine

C12H20N2S — CID 104756449

IUPAC2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CNCc1ccc(C)nc1
InChIInChI=1S/C12H20N2S/c1-10-5-6-11(8-14-10)7-13-9-12(2,3)15-4/h5-6,8,13H,7,9H2,1-4H3
InChIKeyJWVPSOSOJUPYKE-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.62
Rot. Bonds5

About 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine

2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine (PubChem CID 104756449) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
PubChem CID104756449
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CNCc1ccc(C)nc1
InChIInChI=1S/C12H20N2S/c1-10-5-6-11(8-14-10)7-13-9-12(2,3)15-4/h5-6,8,13H,7,9H2,1-4H3
InChIKeyJWVPSOSOJUPYKE-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol
CID 104755765
2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 134406499
N-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664548
N-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664551
2,2-dimethyl-4-[(6-methyl-3-pyridinyl)methylamino]butanenitrile
CID 65247657
2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 80695988
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664524
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazin-2-amine
CID 83064247
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
CID 55137911
N,N-dimethyl-2-[(6-methyl-3-pyridinyl)methylamino]acetamide
CID 62995684
2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104751434
N-[(6-methyl-3-pyridinyl)methyl]heptan-1-amine
CID 62996508

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine (CID 104756449) is 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine is CSC(C)(C)CNCc1ccc(C)nc1.
What is the InChIKey of 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine?
The InChIKey is JWVPSOSOJUPYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10-5-6-11(8-14-10)7-13-9-12(2,3)15-4/h5-6,8,13H,7,9H2,1-4H3.
What are the key properties of 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine?
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 104756449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).