(3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone

C16H28F3N3O — CID 119896758

IUPAC(3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone
SMILESCCN(CC1CCN(C(=O)C2CCCC(N)C2)C1)CC(F)(F)F
InChIInChI=1S/C16H28F3N3O/c1-2-21(11-16(17,18)19)9-12-6-7-22(10-12)15(23)13-4-3-5-14(20)8-13/h12-14H,2-11,20H2,1H3
InChIKeyRRIMVEOAKCGZON-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.24
Rot. Bonds5

About (3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone

(3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone (PubChem CID 119896758) has the molecular formula C16H28F3N3O and a molecular weight of 335.41 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone
PubChem CID119896758
Molecular FormulaC16H28F3N3O
Molecular Weight335.41 g/mol
Exact Mass335.22
IUPAC Name(3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone
SMILESCCN(CC1CCN(C(=O)C2CCCC(N)C2)C1)CC(F)(F)F
InChIInChI=1S/C16H28F3N3O/c1-2-21(11-16(17,18)19)9-12-6-7-22(10-12)15(23)13-4-3-5-14(20)8-13/h12-14H,2-11,20H2,1H3
InChIKeyRRIMVEOAKCGZON-UHFFFAOYSA-N
XLogP2.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone 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 (3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone (CID 119896758) is (3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone is CCN(CC1CCN(C(=O)C2CCCC(N)C2)C1)CC(F)(F)F.
What is the InChIKey of (3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is RRIMVEOAKCGZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N3O/c1-2-21(11-16(17,18)19)9-12-6-7-22(10-12)15(23)13-4-3-5-14(20)8-13/h12-14H,2-11,20H2,1H3.
What are the key properties of (3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone?
(3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119896758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).