1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine

C14H23FN2 — CID 114200966

IUPAC1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine
SMILESCNC(CC(C)CC(C)C)c1ccc(F)cn1
InChIInChI=1S/C14H23FN2/c1-10(2)7-11(3)8-14(16-4)13-6-5-12(15)9-17-13/h5-6,9-11,14,16H,7-8H2,1-4H3
InChIKeyZBVJEVPTUOOZPW-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.55
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine

1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine (PubChem CID 114200966) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine
PubChem CID114200966
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine
SMILESCNC(CC(C)CC(C)C)c1ccc(F)cn1
InChIInChI=1S/C14H23FN2/c1-10(2)7-11(3)8-14(16-4)13-6-5-12(15)9-17-13/h5-6,9-11,14,16H,7-8H2,1-4H3
InChIKeyZBVJEVPTUOOZPW-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine
CID 114201019
1-(5-fluoro-2-pyridinyl)-N-methyldecan-1-amine
CID 79712241
1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050222
2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 79713121
1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 79712344
3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol
CID 112583184
2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 79712624
1-(5-fluoro-2-pyridinyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 83126629
1-(5-fluoro-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 107009456
2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 83126078
1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine
CID 79713467
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115886385

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine (CID 114200966) is 1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine is CNC(CC(C)CC(C)C)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine?
The InChIKey is ZBVJEVPTUOOZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-10(2)7-11(3)8-14(16-4)13-6-5-12(15)9-17-13/h5-6,9-11,14,16H,7-8H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine?
1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine has a molecular weight of 238.35 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine is sourced from PubChem (CID 114200966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).