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

C12H20N2S — CID 79267876

IUPAC2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1cccc(C)n1
InChIInChI=1S/C12H20N2S/c1-10(9-15-3)7-13-8-12-6-4-5-11(2)14-12/h4-6,10,13H,7-9H2,1-3H3
InChIKeyRTMQAUUYYVLLJM-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.48
Rot. Bonds6

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

2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine (PubChem CID 79267876) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
PubChem CID79267876
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1cccc(C)n1
InChIInChI=1S/C12H20N2S/c1-10(9-15-3)7-13-8-12-6-4-5-11(2)14-12/h4-6,10,13H,7-9H2,1-3H3
InChIKeyRTMQAUUYYVLLJM-UHFFFAOYSA-N
XLogP2.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile
CID 62321970
N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 60961143
2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 63981721
2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 62323894
N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 14280569
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63964732
2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 78957770
(E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
CID 107899871
N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine
CID 82714626
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
CID 62332060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine (CID 79267876) is 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine is CSCC(C)CNCc1cccc(C)n1.
What is the InChIKey of 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is RTMQAUUYYVLLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10(9-15-3)7-13-8-12-6-4-5-11(2)14-12/h4-6,10,13H,7-9H2,1-3H3.
What are the key properties of 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine?
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 2.48, 6 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-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 79267876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).