4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine

C10H17F3N2 — CID 114462373

IUPAC4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
SMILESCC1=CCN(C(C(C)N)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2/c1-7-3-5-15(6-4-7)9(8(2)14)10(11,12)13/h3,8-9H,4-6,14H2,1-2H3
InChIKeyKUVCQDWFJXTOTA-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.92
Rot. Bonds2

About 4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine

4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine (PubChem CID 114462373) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
PubChem CID114462373
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
SMILESCC1=CCN(C(C(C)N)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2/c1-7-3-5-15(6-4-7)9(8(2)14)10(11,12)13/h3,8-9H,4-6,14H2,1-2H3
InChIKeyKUVCQDWFJXTOTA-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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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine (CID 114462373) is 4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine is CC1=CCN(C(C(C)N)C(F)(F)F)CC1.
What is the InChIKey of 4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine?
The InChIKey is KUVCQDWFJXTOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-7-3-5-15(6-4-7)9(8(2)14)10(11,12)13/h3,8-9H,4-6,14H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine?
4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-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 4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine is sourced from PubChem (CID 114462373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).