4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine

C10H17F3N2 — CID 114489703

IUPAC4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
SMILESNCCCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2/c11-10(12,13)9-3-7-15(8-4-9)6-2-1-5-14/h3H,1-2,4-8,14H2
InChIKeyXUGKZDBJCJJIRR-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.92
Rot. Bonds4

About 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine

4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine (PubChem CID 114489703) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
PubChem CID114489703
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
SMILESNCCCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2/c11-10(12,13)9-3-7-15(8-4-9)6-2-1-5-14/h3H,1-2,4-8,14H2
InChIKeyXUGKZDBJCJJIRR-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]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-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine (CID 114489703) is 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine is NCCCCN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The InChIKey is XUGKZDBJCJJIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c11-10(12,13)9-3-7-15(8-4-9)6-2-1-5-14/h3H,1-2,4-8,14H2.
What are the key properties of 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine has a molecular weight of 222.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine is sourced from PubChem (CID 114489703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).