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

C15H27F3N2 — CID 114490708

IUPAC2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESCC(C)CNCC(C)(C)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-12(2)9-19-10-14(3,4)11-20-7-5-13(6-8-20)15(16,17)18/h5,12,19H,6-11H2,1-4H3
InChIKeyZNSVPYJNZSONPL-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.45
Rot. Bonds6

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

2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (PubChem CID 114490708) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
PubChem CID114490708
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESCC(C)CNCC(C)(C)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-12(2)9-19-10-14(3,4)11-20-7-5-13(6-8-20)15(16,17)18/h5,12,19H,6-11H2,1-4H3
InChIKeyZNSVPYJNZSONPL-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine with MolForge

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Related Compounds

N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 114490623
(2S)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 130523166
2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 79621609
5,5-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine
CID 114490216
2,2-dimethyl-N-(2-methylpropyl)-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 62974441
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 63025477
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine
CID 114413409
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 104960598
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-methylpropyl)propan-1-amine
CID 62263553
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557554
3-(2,2-dimethylmorpholin-4-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62256849
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 114460914

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (CID 114490708) is 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is CC(C)CNCC(C)(C)CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The InChIKey is ZNSVPYJNZSONPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-12(2)9-19-10-14(3,4)11-20-7-5-13(6-8-20)15(16,17)18/h5,12,19H,6-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is sourced from PubChem (CID 114490708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).