2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine

C14H25F3N2 — CID 114462152

IUPAC2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(N1CC=C(C(C)(C)C)CC1)C(F)(F)F
InChIInChI=1S/C14H25F3N2/c1-5-11(18)12(14(15,16)17)19-8-6-10(7-9-19)13(2,3)4/h6,11-12H,5,7-9,18H2,1-4H3
InChIKeyUZMABUBMDSJRDF-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.33
Rot. Bonds3

About 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine

2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine (PubChem CID 114462152) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine.

Molecular Properties

Compound Name2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine
PubChem CID114462152
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(N1CC=C(C(C)(C)C)CC1)C(F)(F)F
InChIInChI=1S/C14H25F3N2/c1-5-11(18)12(14(15,16)17)19-8-6-10(7-9-19)13(2,3)4/h6,11-12H,5,7-9,18H2,1-4H3
InChIKeyUZMABUBMDSJRDF-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine?
The IUPAC name of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine (CID 114462152) is 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine.
What is the SMILES notation for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine?
The canonical SMILES for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine is CCC(N)C(N1CC=C(C(C)(C)C)CC1)C(F)(F)F.
What is the InChIKey of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine?
The InChIKey is UZMABUBMDSJRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-5-11(18)12(14(15,16)17)19-8-6-10(7-9-19)13(2,3)4/h6,11-12H,5,7-9,18H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine?
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine has a molecular weight of 278.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine is sourced from PubChem (CID 114462152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).