2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine

C13H23F3N2 — CID 114489702

IUPAC2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
SMILESCC(C)(CN)CCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2/c1-12(2,10-17)6-3-7-18-8-4-11(5-9-18)13(14,15)16/h4H,3,5-10,17H2,1-2H3
InChIKeyGQTIMZMEPKZKDJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.95
Rot. Bonds5

About 2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine

2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine (PubChem CID 114489702) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
PubChem CID114489702
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
SMILESCC(C)(CN)CCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2/c1-12(2,10-17)6-3-7-18-8-4-11(5-9-18)13(14,15)16/h4H,3,5-10,17H2,1-2H3
InChIKeyGQTIMZMEPKZKDJ-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

2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 75437864
4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 155484976
4-tert-butyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 162475450
1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 176702205
3,3-difluoro-4-propan-2-yl-2,6-dihydro-1H-pyridine;ethane
CID 177353262
4-Tert-butyl-1-ethyl-3,3-difluoro-2,6-dihydropyridine;ethane
CID 177353445
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366474
2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
CID 105435260
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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine (CID 114489702) is 2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine is CC(C)(CN)CCCN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine?
The InChIKey is GQTIMZMEPKZKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-12(2,10-17)6-3-7-18-8-4-11(5-9-18)13(14,15)16/h4H,3,5-10,17H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine?
2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-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 2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine is sourced from PubChem (CID 114489702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).