3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine

C15H26FN3S — CID 105390476

IUPAC3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(C)C(C)CCSC)c1F
InChIInChI=1S/C15H26FN3S/c1-5-8-17-11-13-6-9-18-15(14(13)16)19(3)12(2)7-10-20-4/h6,9,12,17H,5,7-8,10-11H2,1-4H3
InChIKeyQUNGIOJQUNUXIN-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.30
Rot. Bonds9

About 3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine

3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine (PubChem CID 105390476) has the molecular formula C15H26FN3S and a molecular weight of 299.46 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
PubChem CID105390476
Molecular FormulaC15H26FN3S
Molecular Weight299.46 g/mol
Exact Mass299.18
IUPAC Name3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(C)C(C)CCSC)c1F
InChIInChI=1S/C15H26FN3S/c1-5-8-17-11-13-6-9-18-15(14(13)16)19(3)12(2)7-10-20-4/h6,9,12,17H,5,7-8,10-11H2,1-4H3
InChIKeyQUNGIOJQUNUXIN-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine with MolForge

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Related Compounds

4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 105390479
3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 105389308
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 105390310
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105389605
3-fluoro-2-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382713
3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 105389253
N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105389291
N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine
CID 107380930
3-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389581
3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389300
3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389063
N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105388956

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine (CID 105390476) is 3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine is CCCNCc1ccnc(N(C)C(C)CCSC)c1F.
What is the InChIKey of 3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine?
The InChIKey is QUNGIOJQUNUXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3S/c1-5-8-17-11-13-6-9-18-15(14(13)16)19(3)12(2)7-10-20-4/h6,9,12,17H,5,7-8,10-11H2,1-4H3.
What are the key properties of 3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine?
3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine has a molecular weight of 299.46 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 105390476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).