3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

C15H26Cl2F3N3O — CID 119854673

IUPAC3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC1C2CCC(C2)C1C(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C15H24F3N3O.2ClH/c16-15(17,18)8-21-4-3-9(7-21)6-20-14(22)12-10-1-2-11(5-10)13(12)19;;/h9-13H,1-8,19H2,(H,20,22);2*1H
InChIKeyIOPPQDNKHMQHLY-UHFFFAOYSA-N
MW392.29 g/mol
LogP2.20
Rot. Bonds4

About 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119854673) has the molecular formula C15H26Cl2F3N3O and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
PubChem CID119854673
Molecular FormulaC15H26Cl2F3N3O
Molecular Weight392.29 g/mol
Exact Mass391.14
IUPAC Name3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC1C2CCC(C2)C1C(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C15H24F3N3O.2ClH/c16-15(17,18)8-21-4-3-9(7-21)6-20-14(22)12-10-1-2-11(5-10)13(12)19;;/h9-13H,1-8,19H2,(H,20,22);2*1H
InChIKeyIOPPQDNKHMQHLY-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride 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

3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119862615
3-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119860620
(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854697
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 50989385
3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119756548
4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 60856640
2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide
CID 60856801
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 61245229
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]adamantane-1-carboxamide
CID 51090941
3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119880522
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119854716
1-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
CID 60856164

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119854673) is 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is Cl.Cl.NC1C2CCC(C2)C1C(=O)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The InChIKey is IOPPQDNKHMQHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O.2ClH/c16-15(17,18)8-21-4-3-9(7-21)6-20-14(22)12-10-1-2-11(5-10)13(12)19;;/h9-13H,1-8,19H2,(H,20,22);2*1H.
What are the key properties of 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 392.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119854673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).