6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine

C13H23N3S — CID 103955063

IUPAC6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine
SMILESCCC(CSC)N(C)c1ccc([C@H](C)N)nc1
InChIInChI=1S/C13H23N3S/c1-5-11(9-17-4)16(3)12-6-7-13(10(2)14)15-8-12/h6-8,10-11H,5,9,14H2,1-4H3/t10-,11?/m0/s1
InChIKeyWQBFKALCLJSTGZ-VUWPPUDQSA-N
MW253.41 g/mol
LogP2.68
Rot. Bonds6

About 6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine

6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine (PubChem CID 103955063) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine
PubChem CID103955063
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine
SMILESCCC(CSC)N(C)c1ccc([C@H](C)N)nc1
InChIInChI=1S/C13H23N3S/c1-5-11(9-17-4)16(3)12-6-7-13(10(2)14)15-8-12/h6-8,10-11H,5,9,14H2,1-4H3/t10-,11?/m0/s1
InChIKeyWQBFKALCLJSTGZ-VUWPPUDQSA-N
XLogP2.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 112661743
4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 103955055
N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
CID 136920625
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052
6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
CID 83123142
6-(aminomethyl)-N-methyl-N-pentan-3-ylpyridin-3-amine
CID 115486871
N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 112660607
2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 112657230
6-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-methylpyridin-3-amine
CID 83122563
6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 83128029
1-[4-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanol
CID 112661746
6-(1-aminoethyl)-N-cyclopropyl-N-methylpyridin-3-amine
CID 83122472

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine?
The IUPAC name of 6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine (CID 103955063) is 6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine.
What is the SMILES notation for 6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine?
The canonical SMILES for 6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine is CCC(CSC)N(C)c1ccc([C@H](C)N)nc1.
What is the InChIKey of 6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine?
The InChIKey is WQBFKALCLJSTGZ-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H23N3S/c1-5-11(9-17-4)16(3)12-6-7-13(10(2)14)15-8-12/h6-8,10-11H,5,9,14H2,1-4H3/t10-,11?/m0/s1.
What are the key properties of 6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine?
6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine has a molecular weight of 253.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine is sourced from PubChem (CID 103955063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).