1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine

C14H21F3N2 — CID 105125097

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine
SMILESCCCCCCCC(N)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H21F3N2/c1-2-3-4-5-6-7-12(18)13-9-8-11(10-19-13)14(15,16)17/h8-10,12H,2-7,18H2,1H3
InChIKeyHOBBFKORDAFNBL-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.46
Rot. Bonds7

About 1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine

1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine (PubChem CID 105125097) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine
PubChem CID105125097
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine
SMILESCCCCCCCC(N)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H21F3N2/c1-2-3-4-5-6-7-12(18)13-9-8-11(10-19-13)14(15,16)17/h8-10,12H,2-7,18H2,1H3
InChIKeyHOBBFKORDAFNBL-UHFFFAOYSA-N
XLogP4.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine
CID 105124478
1-[5-(trifluoromethyl)-2-pyridinyl]nonylhydrazine
CID 105294404
4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156496
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105113529
3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine
CID 105176912
(1R)-1-[4-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171199061
2-(2,6-dimethylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105174687
(1S)-1-(5-methyl-2-pyridinyl)pentan-1-amine
CID 55275982
1-(5-bromo-2-pyridinyl)pentan-1-amine
CID 70087058
1-(5-methylpyrazin-2-yl)octan-1-amine
CID 105124976
2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 112693374

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine (CID 105125097) is 1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine is CCCCCCCC(N)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine?
The InChIKey is HOBBFKORDAFNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-2-3-4-5-6-7-12(18)13-9-8-11(10-19-13)14(15,16)17/h8-10,12H,2-7,18H2,1H3.
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine?
1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine has a molecular weight of 274.33 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine is sourced from PubChem (CID 105125097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).