N,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine

C13H19F3N2 — CID 173168177

IUPACN,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine
SMILESCN1CCC(N(C)C2=CC=C(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H19F3N2/c1-17-8-7-12(9-17)18(2)11-5-3-10(4-6-11)13(14,15)16/h3,5,12H,4,6-9H2,1-2H3
InChIKeyHSBMBLITDWVHQM-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.79
Rot. Bonds2

About N,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine

N,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine (PubChem CID 173168177) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine
PubChem CID173168177
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC NameN,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine
SMILESCN1CCC(N(C)C2=CC=C(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H19F3N2/c1-17-8-7-12(9-17)18(2)11-5-3-10(4-6-11)13(14,15)16/h3,5,12H,4,6-9H2,1-2H3
InChIKeyHSBMBLITDWVHQM-UHFFFAOYSA-N
XLogP2.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine
CID 71172945
ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 144539787
1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 163683081
3,3-Difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine
CID 166838445
2-methyl-1-[(3E,5E)-7,7,7-trifluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine
CID 166960930
(2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine
CID 142034242
N,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 157402262
5-[2-(3,3-Difluoropyrrolidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine
CID 157754014
2-[4-(1,1-difluoroethyl)cyclohexa-1,3-dien-1-yl]-1-[(3E)-3-fluoropenta-1,3-dien-2-yl]pyrrolidine
CID 162574696
(3S)-N,1-dimethyl-N-[(1E,3Z,7Z)-7-methyl-8-(trifluoromethyl)cycloocta-1,3,7-trien-1-yl]pyrrolidin-3-amine
CID 164906062
N,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine
CID 138654811
(3S)-N,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine;ethane
CID 142367838

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine?
The IUPAC name of N,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine (CID 173168177) is N,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine?
The canonical SMILES for N,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine is CN1CCC(N(C)C2=CC=C(C(F)(F)F)CC2)C1.
What is the InChIKey of N,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine?
The InChIKey is HSBMBLITDWVHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-17-8-7-12(9-17)18(2)11-5-3-10(4-6-11)13(14,15)16/h3,5,12H,4,6-9H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine?
N,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine has a molecular weight of 260.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-amine is sourced from PubChem (CID 173168177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).