6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine

C15H27N3S — CID 112664312

IUPAC6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN(C)C(CC)CSC)n1
InChIInChI=1S/C15H27N3S/c1-5-10-16-15-9-7-8-13(17-15)11-18(3)14(6-2)12-19-4/h7-9,14H,5-6,10-12H2,1-4H3,(H,16,17)
InChIKeyKLMOHYHANHDECW-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.48
Rot. Bonds9

About 6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine

6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 112664312) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID112664312
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN(C)C(CC)CSC)n1
InChIInChI=1S/C15H27N3S/c1-5-10-16-15-9-7-8-13(17-15)11-18(3)14(6-2)12-19-4/h7-9,14H,5-6,10-12H2,1-4H3,(H,16,17)
InChIKeyKLMOHYHANHDECW-UHFFFAOYSA-N
XLogP3.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 79243531
N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine
CID 106907072
N-methyl-6-[[methyl(pentan-3-yl)amino]methyl]pyridin-2-amine
CID 79243618
6-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 79243172
6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine
CID 79243725
6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine
CID 79243620
6-[[ethyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 79481796
3-[[6-(propylamino)-2-pyridinyl]methylsulfanyl]propane-1,2-diol
CID 79671978
N-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine
CID 103056808
6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
CID 80770551
N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 112664197
5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 112664315

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine (CID 112664312) is 6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1cccc(CN(C)C(CC)CSC)n1.
What is the InChIKey of 6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is KLMOHYHANHDECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-10-16-15-9-7-8-13(17-15)11-18(3)14(6-2)12-19-4/h7-9,14H,5-6,10-12H2,1-4H3,(H,16,17).
What are the key properties of 6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine?
6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 112664312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).