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

C14H22F3N3 — CID 79566138

IUPAC2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C14H22F3N3/c1-19-13(9-18)7-2-3-11(13)6-8-20(12-4-5-12)10-14(15,16)17/h11-12,19H,2-8,10H2,1H3
InChIKeyCMDMCBVZAIJSRX-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.69
Rot. Bonds6

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

2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79566138) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79566138
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC Name2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C14H22F3N3/c1-19-13(9-18)7-2-3-11(13)6-8-20(12-4-5-12)10-14(15,16)17/h11-12,19H,2-8,10H2,1H3
InChIKeyCMDMCBVZAIJSRX-UHFFFAOYSA-N
XLogP2.69
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (CID 79566138) is 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is CNC1(C#N)CCCC1CCN(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is CMDMCBVZAIJSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-19-13(9-18)7-2-3-11(13)6-8-20(12-4-5-12)10-14(15,16)17/h11-12,19H,2-8,10H2,1H3.
What are the key properties of 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79566138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).