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

C16H25F3N2 — CID 105124478

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine
SMILESCCCCCCCCCC(N)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H25F3N2/c1-2-3-4-5-6-7-8-9-14(20)15-11-10-13(12-21-15)16(17,18)19/h10-12,14H,2-9,20H2,1H3
InChIKeyYOEWKNJBUJIGNS-UHFFFAOYSA-N
MW302.38 g/mol
LogP5.24
Rot. Bonds9

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

1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine (PubChem CID 105124478) has the molecular formula C16H25F3N2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine
PubChem CID105124478
Molecular FormulaC16H25F3N2
Molecular Weight302.38 g/mol
Exact Mass302.20
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine
SMILESCCCCCCCCCC(N)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H25F3N2/c1-2-3-4-5-6-7-8-9-14(20)15-11-10-13(12-21-15)16(17,18)19/h10-12,14H,2-9,20H2,1H3
InChIKeyYOEWKNJBUJIGNS-UHFFFAOYSA-N
XLogP5.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.38
LogP ≤ 55.24
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]octan-1-amine
CID 105125097
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]decan-1-amine?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine (CID 105124478) is 1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine is CCCCCCCCCC(N)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine?
The InChIKey is YOEWKNJBUJIGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2/c1-2-3-4-5-6-7-8-9-14(20)15-11-10-13(12-21-15)16(17,18)19/h10-12,14H,2-9,20H2,1H3.
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine?
1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine has a molecular weight of 302.38 g/mol, XLogP of 5.24, 9 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]decan-1-amine is sourced from PubChem (CID 105124478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).