3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C14H21F3N2 — CID 160820671

IUPAC3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)(C)c1cncc(CCCNCC(F)(F)F)c1
InChIInChI=1S/C14H21F3N2/c1-13(2,3)12-7-11(8-19-9-12)5-4-6-18-10-14(15,16)17/h7-9,18H,4-6,10H2,1-3H3
InChIKeyTYAIBOOFWIOHTD-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.46
Rot. Bonds5

About 3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 160820671) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID160820671
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)(C)c1cncc(CCCNCC(F)(F)F)c1
InChIInChI=1S/C14H21F3N2/c1-13(2,3)12-7-11(8-19-9-12)5-4-6-18-10-14(15,16)17/h7-9,18H,4-6,10H2,1-3H3
InChIKeyTYAIBOOFWIOHTD-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-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 3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 160820671) is 3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(C)(C)c1cncc(CCCNCC(F)(F)F)c1.
What is the InChIKey of 3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is TYAIBOOFWIOHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-13(2,3)12-7-11(8-19-9-12)5-4-6-18-10-14(15,16)17/h7-9,18H,4-6,10H2,1-3H3.
What are the key properties of 3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 274.33 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 160820671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).