N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine

C13H22FN3 — CID 112586268

IUPACN-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine
SMILESCCNC(c1ccc(F)cn1)C(C)CN(C)C
InChIInChI=1S/C13H22FN3/c1-5-15-13(10(2)9-17(3)4)12-7-6-11(14)8-16-12/h6-8,10,13,15H,5,9H2,1-4H3
InChIKeyYDVOJQQWXUKTOP-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.07
Rot. Bonds6

About N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine

N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine (PubChem CID 112586268) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine
PubChem CID112586268
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC NameN-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine
SMILESCCNC(c1ccc(F)cn1)C(C)CN(C)C
InChIInChI=1S/C13H22FN3/c1-5-15-13(10(2)9-17(3)4)12-7-6-11(14)8-16-12/h6-8,10,13,15H,5,9H2,1-4H3
InChIKeyYDVOJQQWXUKTOP-UHFFFAOYSA-N
XLogP2.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine
CID 115941310
3-(3,4-dimethylpyrrolidin-1-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941444
1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 115987563
1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol
CID 83126298
2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 83119730
N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115941183
(2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol
CID 103952261
3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 103191427
N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79712293
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
CID 83120285

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine?
The IUPAC name of N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine (CID 112586268) is N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine is CCNC(c1ccc(F)cn1)C(C)CN(C)C.
What is the InChIKey of N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine?
The InChIKey is YDVOJQQWXUKTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-5-15-13(10(2)9-17(3)4)12-7-6-11(14)8-16-12/h6-8,10,13,15H,5,9H2,1-4H3.
What are the key properties of N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine?
N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine has a molecular weight of 239.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 112586268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).