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

C10H17F3N2 — CID 114489667

IUPAC2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESCC(C)(CN)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2/c1-9(2,7-14)15-5-3-8(4-6-15)10(11,12)13/h3H,4-7,14H2,1-2H3
InChIKeyGVHKSARXJUZLLI-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.92
Rot. Bonds2

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

2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (PubChem CID 114489667) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
PubChem CID114489667
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESCC(C)(CN)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2/c1-9(2,7-14)15-5-3-8(4-6-15)10(11,12)13/h3H,4-7,14H2,1-2H3
InChIKeyGVHKSARXJUZLLI-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-Methyl-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-amine
CID 12700151
1-Ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine
CID 123724920
1-[(3E,5Z)-5-methyl-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine
CID 144888846
3,3,3-trifluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]propan-1-amine
CID 103366475
difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 105431839
2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
CID 105436441
2,2,2-trifluoro-N-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine
CID 106314826
4,4,4-trifluoro-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
CID 113591603
3,3,3-trifluoro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 113591604
N-propan-2-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 113591661
2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
CID 113591675
3,3-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
CID 113591683

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (CID 114489667) is 2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is CC(C)(CN)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The InChIKey is GVHKSARXJUZLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-9(2,7-14)15-5-3-8(4-6-15)10(11,12)13/h3H,4-7,14H2,1-2H3.
What are the key properties of 2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine has a molecular weight of 222.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is sourced from PubChem (CID 114489667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).