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

C13H22F3N3 — CID 79565262

IUPAC2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCCN(CCC1CCCC1(C#N)NC)CC(F)(F)F
InChIInChI=1S/C13H22F3N3/c1-3-19(10-13(14,15)16)8-6-11-5-4-7-12(11,9-17)18-2/h11,18H,3-8,10H2,1-2H3
InChIKeySPCITFBBSXRWQW-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.54
Rot. Bonds6

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

2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79565262) has the molecular formula C13H22F3N3 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79565262
Molecular FormulaC13H22F3N3
Molecular Weight277.33 g/mol
Exact Mass277.18
IUPAC Name2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCCN(CCC1CCCC1(C#N)NC)CC(F)(F)F
InChIInChI=1S/C13H22F3N3/c1-3-19(10-13(14,15)16)8-6-11-5-4-7-12(11,9-17)18-2/h11,18H,3-8,10H2,1-2H3
InChIKeySPCITFBBSXRWQW-UHFFFAOYSA-N
XLogP2.54
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (CID 79565262) is 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is CCN(CCC1CCCC1(C#N)NC)CC(F)(F)F.
What is the InChIKey of 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is SPCITFBBSXRWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3/c1-3-19(10-13(14,15)16)8-6-11-5-4-7-12(11,9-17)18-2/h11,18H,3-8,10H2,1-2H3.
What are the key properties of 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 277.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79565262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).