2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine

C13H23F3N2 — CID 103366474

IUPAC2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(C)(C)C1=CCN(CC(CN)C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2/c1-12(2,3)10-4-6-18(7-5-10)9-11(8-17)13(14,15)16/h4,11H,5-9,17H2,1-3H3
InChIKeyHYBZJUZCWTVPIQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.80
Rot. Bonds3

About 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine

2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366474) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366474
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(C)(C)C1=CCN(CC(CN)C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2/c1-12(2,3)10-4-6-18(7-5-10)9-11(8-17)13(14,15)16/h4,11H,5-9,17H2,1-3H3
InChIKeyHYBZJUZCWTVPIQ-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-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 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 103366474) is 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine is CC(C)(C)C1=CCN(CC(CN)C(F)(F)F)CC1.
What is the InChIKey of 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is HYBZJUZCWTVPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-12(2,3)10-4-6-18(7-5-10)9-11(8-17)13(14,15)16/h4,11H,5-9,17H2,1-3H3.
What are the key properties of 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 264.33 g/mol, XLogP of 2.80, 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)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).