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

C13H23F3N2 — CID 114490180

IUPAC2-ethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]butan-1-amine
SMILESCCC(CC)(CN)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2/c1-3-12(4-2,9-17)10-18-7-5-11(6-8-18)13(14,15)16/h5H,3-4,6-10,17H2,1-2H3
InChIKeyOMCHLEOBRRXOIF-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.95
Rot. Bonds5

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

2-ethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]butan-1-amine (PubChem CID 114490180) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-ethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]butan-1-amine
PubChem CID114490180
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name2-ethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]butan-1-amine
SMILESCCC(CC)(CN)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2/c1-3-12(4-2,9-17)10-18-7-5-11(6-8-18)13(14,15)16/h5H,3-4,6-10,17H2,1-2H3
InChIKeyOMCHLEOBRRXOIF-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.95
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

1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine
CID 118500396
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366474
3,3,3-trifluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]propan-1-amine
CID 103366475
2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
CID 105436441
2,2-dimethyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 106708249
4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine
CID 107473680
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 113588400
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4,4,4-trifluorobutan-1-amine
CID 113588647
2-[1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopropyl]ethanamine
CID 113591611
4,4-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-3-amine
CID 113591679
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 113591681
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-ethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]butan-1-amine?
The IUPAC name of 2-ethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]butan-1-amine (CID 114490180) is 2-ethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]butan-1-amine is CCC(CC)(CN)CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-ethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]butan-1-amine?
The InChIKey is OMCHLEOBRRXOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-3-12(4-2,9-17)10-18-7-5-11(6-8-18)13(14,15)16/h5H,3-4,6-10,17H2,1-2H3.
What are the key properties of 2-ethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]butan-1-amine?
2-ethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]butan-1-amine has a molecular weight of 264.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]butan-1-amine is sourced from PubChem (CID 114490180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).