N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine

C15H19F3N2 — CID 105181551

IUPACN-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine
SMILESCC#CCCC(NCCC)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H19F3N2/c1-3-5-6-7-13(19-10-4-2)14-9-8-12(11-20-14)15(16,17)18/h8-9,11,13,19H,4,6-7,10H2,1-2H3
InChIKeyRYNVKKYKCFHLNT-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.94
Rot. Bonds6

About N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine

N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine (PubChem CID 105181551) has the molecular formula C15H19F3N2 and a molecular weight of 284.33 g/mol. Its IUPAC name is N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine.

Molecular Properties

Compound NameN-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine
PubChem CID105181551
Molecular FormulaC15H19F3N2
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC NameN-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine
SMILESCC#CCCC(NCCC)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H19F3N2/c1-3-5-6-7-13(19-10-4-2)14-9-8-12(11-20-14)15(16,17)18/h8-9,11,13,19H,4,6-7,10H2,1-2H3
InChIKeyRYNVKKYKCFHLNT-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-bromo-5-(trifluoromethyl)phenyl]-N-propylhex-4-yn-1-amine
CID 105037197
1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine
CID 105037317
1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine
CID 103374819
N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine
CID 105182656
1-[5-(trifluoromethyl)-2-pyridinyl]nonylhydrazine
CID 105294404
N-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106657274
4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156292
1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine
CID 105307862
1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine
CID 105181368
N-[(1-methylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
CID 103134582
N-[(3-methylthiophen-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
CID 105166549
1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517440

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine?
The IUPAC name of N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine (CID 105181551) is N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine.
What is the SMILES notation for N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine?
The canonical SMILES for N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine is CC#CCCC(NCCC)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine?
The InChIKey is RYNVKKYKCFHLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-3-5-6-7-13(19-10-4-2)14-9-8-12(11-20-14)15(16,17)18/h8-9,11,13,19H,4,6-7,10H2,1-2H3.
What are the key properties of N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine?
N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine has a molecular weight of 284.33 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine is sourced from PubChem (CID 105181551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).