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

C14H21F3N2 — CID 115516070

IUPAC4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-1-amine
SMILESCc1cc(C)c(C(C)NCCCC(F)(F)F)c(C)n1
InChIInChI=1S/C14H21F3N2/c1-9-8-10(2)19-12(4)13(9)11(3)18-7-5-6-14(15,16)17/h8,11,18H,5-7H2,1-4H3
InChIKeyPPUOLHFQRLMZIV-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.00
Rot. Bonds5

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

4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-1-amine (PubChem CID 115516070) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-1-amine
PubChem CID115516070
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-1-amine
SMILESCc1cc(C)c(C(C)NCCCC(F)(F)F)c(C)n1
InChIInChI=1S/C14H21F3N2/c1-9-8-10(2)19-12(4)13(9)11(3)18-7-5-6-14(15,16)17/h8,11,18H,5-7H2,1-4H3
InChIKeyPPUOLHFQRLMZIV-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-1-amine (CID 115516070) is 4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-1-amine is Cc1cc(C)c(C(C)NCCCC(F)(F)F)c(C)n1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-1-amine?
The InChIKey is PPUOLHFQRLMZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-9-8-10(2)19-12(4)13(9)11(3)18-7-5-6-14(15,16)17/h8,11,18H,5-7H2,1-4H3.
What are the key properties of 4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-1-amine?
4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-1-amine has a molecular weight of 274.33 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-1-amine is sourced from PubChem (CID 115516070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).