2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine

C12H20N2S — CID 63982135

IUPAC2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine
SMILESCSCC(C)CNC(C)c1ccccn1
InChIInChI=1S/C12H20N2S/c1-10(9-15-3)8-14-11(2)12-6-4-5-7-13-12/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyQGGFFUOOYNLARC-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.73
Rot. Bonds6

About 2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine

2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine (PubChem CID 63982135) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine
PubChem CID63982135
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine
SMILESCSCC(C)CNC(C)c1ccccn1
InChIInChI=1S/C12H20N2S/c1-10(9-15-3)8-14-11(2)12-6-4-5-7-13-12/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyQGGFFUOOYNLARC-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
2-ethyl-N-[(1R)-1-pyridin-2-ylethyl]butan-1-amine
CID 28647872
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine
CID 107442532
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
N-[(1S)-1-pyridin-2-ylethyl]but-2-yn-1-amine
CID 81402313
3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine
CID 81401770
1-cyclopropyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 63294348
2-ethyl-N-[(1R)-1-pyridin-2-ylethyl]hexan-1-amine
CID 81407759

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine (CID 63982135) is 2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine is CSCC(C)CNC(C)c1ccccn1.
What is the InChIKey of 2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine?
The InChIKey is QGGFFUOOYNLARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10(9-15-3)8-14-11(2)12-6-4-5-7-13-12/h4-7,10-11,14H,8-9H2,1-3H3.
What are the key properties of 2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine?
2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 63982135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).