5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine

C26H28F2N2 — CID 23051567

IUPAC5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine
SMILESFc1ccc(C(=CCCCNCCCCc2cccnc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H28F2N2/c27-24-13-9-22(10-14-24)26(23-11-15-25(28)16-12-23)8-2-4-18-29-17-3-1-6-21-7-5-19-30-20-21/h5,7-16,19-20,29H,1-4,6,17-18H2
InChIKeySGIFZKLUTGPRSN-UHFFFAOYSA-N
MW406.52 g/mol
LogP6.18
Rot. Bonds11

About 5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine

5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine (PubChem CID 23051567) has the molecular formula C26H28F2N2 and a molecular weight of 406.52 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine
PubChem CID23051567
Molecular FormulaC26H28F2N2
Molecular Weight406.52 g/mol
Exact Mass406.22
IUPAC Name5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine
SMILESFc1ccc(C(=CCCCNCCCCc2cccnc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H28F2N2/c27-24-13-9-22(10-14-24)26(23-11-15-25(28)16-12-23)8-2-4-18-29-17-3-1-6-21-7-5-19-30-20-21/h5,7-16,19-20,29H,1-4,6,17-18H2
InChIKeySGIFZKLUTGPRSN-UHFFFAOYSA-N
XLogP6.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.52
LogP ≤ 56.18
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

(E)-5-(4-fluorophenyl)-5-pyridin-3-ylpent-4-en-1-ol
CID 15087804
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one
CID 57095920
1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide
CID 110661344
4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine
CID 86174000
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide
CID 54241832
N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine
CID 115407048
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
CID 12717111
(2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
CID 14347364
1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone
CID 82101488

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine?
The IUPAC name of 5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine (CID 23051567) is 5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine is Fc1ccc(C(=CCCCNCCCCc2cccnc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine?
The InChIKey is SGIFZKLUTGPRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2/c27-24-13-9-22(10-14-24)26(23-11-15-25(28)16-12-23)8-2-4-18-29-17-3-1-6-21-7-5-19-30-20-21/h5,7-16,19-20,29H,1-4,6,17-18H2.
What are the key properties of 5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine?
5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine has a molecular weight of 406.52 g/mol, XLogP of 6.18, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine is sourced from PubChem (CID 23051567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).