5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine

C15H23F3N2 — CID 115516808

IUPAC5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine
SMILESCc1cc(C)c(C(C)NCCCCC(F)(F)F)c(C)n1
InChIInChI=1S/C15H23F3N2/c1-10-9-11(2)20-13(4)14(10)12(3)19-8-6-5-7-15(16,17)18/h9,12,19H,5-8H2,1-4H3
InChIKeyURZQWDPLHUHNHA-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.39
Rot. Bonds6

About 5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine

5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine (PubChem CID 115516808) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine
PubChem CID115516808
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine
SMILESCc1cc(C)c(C(C)NCCCCC(F)(F)F)c(C)n1
InChIInChI=1S/C15H23F3N2/c1-10-9-11(2)20-13(4)14(10)12(3)19-8-6-5-7-15(16,17)18/h9,12,19H,5-8H2,1-4H3
InChIKeyURZQWDPLHUHNHA-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.39
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

N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 63827120
3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 113351582
3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 106009012
3-propoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 82940884
3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 43767139
3-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103917473
2,4-dimethyl-5-[1-(4,4,4-trifluorobutylamino)ethyl]-1H-pyrimidin-6-one
CID 136952773
tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
CID 103917430
4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol
CID 107151568
5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine
CID 115496246
N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 103917504
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 61240883

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine (CID 115516808) is 5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine is Cc1cc(C)c(C(C)NCCCCC(F)(F)F)c(C)n1.
What is the InChIKey of 5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine?
The InChIKey is URZQWDPLHUHNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-10-9-11(2)20-13(4)14(10)12(3)19-8-6-5-7-15(16,17)18/h9,12,19H,5-8H2,1-4H3.
What are the key properties of 5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine?
5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine has a molecular weight of 288.36 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine is sourced from PubChem (CID 115516808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).