5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine

C13H22ClN3S — CID 112664254

IUPAC5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CN(C)CCSC)n1
InChIInChI=1S/C13H22ClN3S/c1-4-7-15-13-6-5-11(14)12(16-13)10-17(2)8-9-18-3/h5-6H,4,7-10H2,1-3H3,(H,15,16)
InChIKeyNKIKPFHDLQKSQF-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.35
Rot. Bonds8

About 5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine

5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 112664254) has the molecular formula C13H22ClN3S and a molecular weight of 287.86 g/mol. Its IUPAC name is 5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID112664254
Molecular FormulaC13H22ClN3S
Molecular Weight287.86 g/mol
Exact Mass287.12
IUPAC Name5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CN(C)CCSC)n1
InChIInChI=1S/C13H22ClN3S/c1-4-7-15-13-6-5-11(14)12(16-13)10-17(2)8-9-18-3/h5-6H,4,7-10H2,1-3H3,(H,15,16)
InChIKeyNKIKPFHDLQKSQF-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62890773
2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide
CID 62890423
5-chloro-6-[[cyclopropyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62891819
5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62891483
3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106917976
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylpropan-1-amine
CID 62892236
3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-ethylamino]propanenitrile
CID 62890808
5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 79309758
5-chloro-6-[(dipropylamino)methyl]-N-ethylpyridin-2-amine
CID 62891121
N-ethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine
CID 112664282
5-chloro-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 82743738
5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine
CID 55127556

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine (CID 112664254) is 5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1ccc(Cl)c(CN(C)CCSC)n1.
What is the InChIKey of 5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is NKIKPFHDLQKSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3S/c1-4-7-15-13-6-5-11(14)12(16-13)10-17(2)8-9-18-3/h5-6H,4,7-10H2,1-3H3,(H,15,16).
What are the key properties of 5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine?
5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 287.86 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 112664254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).