N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine

C13H23F3N2 — CID 113429290

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2/c1-3-4-5-11(2)17-8-12-6-7-18(9-12)10-13(14,15)16/h3,11-12,17H,1,4-10H2,2H3
InChIKeyPQADDZOWVFWJNH-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.81
Rot. Bonds7

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine (PubChem CID 113429290) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine
PubChem CID113429290
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2/c1-3-4-5-11(2)17-8-12-6-7-18(9-12)10-13(14,15)16/h3,11-12,17H,1,4-10H2,2H3
InChIKeyPQADDZOWVFWJNH-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine (CID 113429290) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine is C=CCCC(C)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine?
The InChIKey is PQADDZOWVFWJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-3-4-5-11(2)17-8-12-6-7-18(9-12)10-13(14,15)16/h3,11-12,17H,1,4-10H2,2H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine has a molecular weight of 264.33 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine is sourced from PubChem (CID 113429290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).