2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile

C14H24F3N3 — CID 79566247

IUPAC2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCN(C)CC(F)(F)F
InChIInChI=1S/C14H24F3N3/c1-3-8-19-13(10-18)7-4-5-12(13)6-9-20(2)11-14(15,16)17/h12,19H,3-9,11H2,1-2H3
InChIKeySHPGBOMYRMHFQQ-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.93
Rot. Bonds7

About 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile

2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 79566247) has the molecular formula C14H24F3N3 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID79566247
Molecular FormulaC14H24F3N3
Molecular Weight291.36 g/mol
Exact Mass291.19
IUPAC Name2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCN(C)CC(F)(F)F
InChIInChI=1S/C14H24F3N3/c1-3-8-19-13(10-18)7-4-5-12(13)6-9-20(2)11-14(15,16)17/h12,19H,3-9,11H2,1-2H3
InChIKeySHPGBOMYRMHFQQ-UHFFFAOYSA-N
XLogP2.93
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile 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 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile (CID 79566247) is 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCCC1CCN(C)CC(F)(F)F.
What is the InChIKey of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is SHPGBOMYRMHFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3/c1-3-8-19-13(10-18)7-4-5-12(13)6-9-20(2)11-14(15,16)17/h12,19H,3-9,11H2,1-2H3.
What are the key properties of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 291.36 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79566247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).