(3E,5Z)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hepta-1,3,5-trien-4-amine

C14H15F3N2 — CID 143694266

IUPAC(3E,5Z)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C/C)NCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H15F3N2/c1-3-5-12(6-4-2)18-9-11-7-8-13(19-10-11)14(15,16)17/h3-8,10,18H,1,9H2,2H3/b6-4-,12-5+
InChIKeyLTEGCFSNUFLCAC-GLNLJRCCSA-N
MW268.28 g/mol
LogP3.84
Rot. Bonds5

About (3E,5Z)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hepta-1,3,5-trien-4-amine

(3E,5Z)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hepta-1,3,5-trien-4-amine (PubChem CID 143694266) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is (3E,5Z)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hepta-1,3,5-trien-4-amine
PubChem CID143694266
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name(3E,5Z)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C/C)NCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H15F3N2/c1-3-5-12(6-4-2)18-9-11-7-8-13(19-10-11)14(15,16)17/h3-8,10,18H,1,9H2,2H3/b6-4-,12-5+
InChIKeyLTEGCFSNUFLCAC-GLNLJRCCSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine
CID 143696197
(3E,5Z)-N-[(6-chloro-3-pyridinyl)methyl]octa-1,3,5,7-tetraen-4-amine;ethane
CID 143694178
4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 71197021
1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine
CID 169111944
tert-butyl N-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]carbamate
CID 137356809
5-(fluoromethyl)-2-(trifluoromethyl)pyridine
CID 177038549
2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidine-5-carbaldehyde
CID 58259308
3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501294
5-propyl-2-(trifluoromethyl)pyridine
CID 23544356
N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide
CID 171823618
1-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 31225510
1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 175089211

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hepta-1,3,5-trien-4-amine (CID 143694266) is (3E,5Z)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hepta-1,3,5-trien-4-amine is C=C/C=C(\C=C/C)NCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of (3E,5Z)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hepta-1,3,5-trien-4-amine?
The InChIKey is LTEGCFSNUFLCAC-GLNLJRCCSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-3-5-12(6-4-2)18-9-11-7-8-13(19-10-11)14(15,16)17/h3-8,10,18H,1,9H2,2H3/b6-4-,12-5+.
What are the key properties of (3E,5Z)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hepta-1,3,5-trien-4-amine?
(3E,5Z)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hepta-1,3,5-trien-4-amine has a molecular weight of 268.28 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hepta-1,3,5-trien-4-amine is sourced from PubChem (CID 143694266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).