3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane

C20H37FN2O — CID 176962147

IUPAC3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane
SMILESCCCCC(CF)OC.CCCCCc1ccc(CC)c(NC)n1
InChIInChI=1S/C13H22N2.C7H15FO/c1-4-6-7-8-12-10-9-11(5-2)13(14-3)15-12;1-3-4-5-7(6-8)9-2/h9-10H,4-8H2,1-3H3,(H,14,15);7H,3-6H2,1-2H3
InChIKeyUXZMWNHTOPQZNG-UHFFFAOYSA-N
MW340.53 g/mol
LogP5.58
Rot. Bonds11

About 3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane

3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane (PubChem CID 176962147) has the molecular formula C20H37FN2O and a molecular weight of 340.53 g/mol. Its IUPAC name is 3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane.

Molecular Properties

Compound Name3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane
PubChem CID176962147
Molecular FormulaC20H37FN2O
Molecular Weight340.53 g/mol
Exact Mass340.29
IUPAC Name3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane
SMILESCCCCC(CF)OC.CCCCCc1ccc(CC)c(NC)n1
InChIInChI=1S/C13H22N2.C7H15FO/c1-4-6-7-8-12-10-9-11(5-2)13(14-3)15-12;1-3-4-5-7(6-8)9-2/h9-10H,4-8H2,1-3H3,(H,14,15);7H,3-6H2,1-2H3
InChIKeyUXZMWNHTOPQZNG-UHFFFAOYSA-N
XLogP5.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.53
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine
CID 153342691
1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol
CID 176962785
3-amino-5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]pent-1-en-2-ol
CID 171832857
methyl 2-amino-4-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butyl-(2-methoxyethyl)amino]butanoate
CID 153342613
cyclobutane;[5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]-2-hydroxypent-1-en-3-yl]azanide;yttrium
CID 171832856
2,3-diethyl-6-pentylpyridine
CID 175318170
2-[(5-cyclopropyl-1,2-dihydropyrimidin-2-yl)amino]-4-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butyl-(2-methoxyethyl)amino]butanoic acid
CID 153342771
(5S)-5-methoxyundecane
CID 118889956
7-[5-ethyl-6-(methylamino)-2-pyridinyl]-1-(7-fluoroquinolin-3-yl)hept-1-en-3-one
CID 123798988
2,6-dipentylpyridine
CID 58097448
2,6-didodecylpyridine
CID 90943274
3-ethyl-2-fluoro-6-propylpyridine
CID 121444063

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane?
The IUPAC name of 3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane (CID 176962147) is 3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane.
What is the SMILES notation for 3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane?
The canonical SMILES for 3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane is CCCCC(CF)OC.CCCCCc1ccc(CC)c(NC)n1.
What is the InChIKey of 3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane?
The InChIKey is UXZMWNHTOPQZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C7H15FO/c1-4-6-7-8-12-10-9-11(5-2)13(14-3)15-12;1-3-4-5-7(6-8)9-2/h9-10H,4-8H2,1-3H3,(H,14,15);7H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane?
3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane has a molecular weight of 340.53 g/mol, XLogP of 5.58, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane is sourced from PubChem (CID 176962147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).