1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine

C15H26FN3S — CID 115987563

IUPAC1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
SMILESCNC(c1ccc(F)cn1)C(C)CN(C)C(C)CSC
InChIInChI=1S/C15H26FN3S/c1-11(9-19(4)12(2)10-20-5)15(17-3)14-7-6-13(16)8-18-14/h6-8,11-12,15,17H,9-10H2,1-5H3
InChIKeyRPJKXHYCDOTMOR-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.80
Rot. Bonds8

About 1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine

1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine (PubChem CID 115987563) has the molecular formula C15H26FN3S and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
PubChem CID115987563
Molecular FormulaC15H26FN3S
Molecular Weight299.46 g/mol
Exact Mass299.18
IUPAC Name1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
SMILESCNC(c1ccc(F)cn1)C(C)CN(C)C(C)CSC
InChIInChI=1S/C15H26FN3S/c1-11(9-19(4)12(2)10-20-5)15(17-3)14-7-6-13(16)8-18-14/h6-8,11-12,15,17H,9-10H2,1-5H3
InChIKeyRPJKXHYCDOTMOR-UHFFFAOYSA-N
XLogP2.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine with MolForge

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine
CID 112586269
2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol
CID 104554713
N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115941183
N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine
CID 112586268
N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 115941288
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115886385
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
CID 112664627
N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
CID 115987569
N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 112660607
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112586276
N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine
CID 115941310
2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 83119730

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine (CID 115987563) is 1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine is CNC(c1ccc(F)cn1)C(C)CN(C)C(C)CSC.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
The InChIKey is RPJKXHYCDOTMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3S/c1-11(9-19(4)12(2)10-20-5)15(17-3)14-7-6-13(16)8-18-14/h6-8,11-12,15,17H,9-10H2,1-5H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine has a molecular weight of 299.46 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 115987563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).