N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine

C11H18F3N — CID 43199198

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine
SMILESCC(NCC(F)(F)F)C1CC2CCC1C2
InChIInChI=1S/C11H18F3N/c1-7(15-6-11(12,13)14)10-5-8-2-3-9(10)4-8/h7-10,15H,2-6H2,1H3
InChIKeyYZWCJYPWPUMLGV-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.96
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 43199198) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID43199198
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine
SMILESCC(NCC(F)(F)F)C1CC2CCC1C2
InChIInChI=1S/C11H18F3N/c1-7(15-6-11(12,13)14)10-5-8-2-3-9(10)4-8/h7-10,15H,2-6H2,1H3
InChIKeyYZWCJYPWPUMLGV-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine 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

2-Norbornanemethylamine, N-cyclopropyl-
CID 204473
(1-{Bicyclo[2.2.1]heptan-2-yl}ethyl)(methyl)amine
CID 16896385
1-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl)-N-methylethanamine hydrochloride
CID 16896384
N-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)ethyl]propan-2-amine
CID 57939669
6-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine
CID 144507185
5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine
CID 144507220
N-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine
CID 144507231
(2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine
CID 144507272
N-n-butyl-2-aminomethylnorbornane
CID 12012257
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide
CID 5136313
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43761068
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55233639

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine (CID 43199198) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine is CC(NCC(F)(F)F)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is YZWCJYPWPUMLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c1-7(15-6-11(12,13)14)10-5-8-2-3-9(10)4-8/h7-10,15H,2-6H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 221.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43199198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).