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

C14H24F3N3 — CID 79565360

IUPAC1-(ethylamino)-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCN(CC)CC(F)(F)F
InChIInChI=1S/C14H24F3N3/c1-3-19-13(10-18)8-5-6-12(13)7-9-20(4-2)11-14(15,16)17/h12,19H,3-9,11H2,1-2H3
InChIKeyIQDNREONSJXJGB-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.93
Rot. Bonds7

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

1-(ethylamino)-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile (PubChem CID 79565360) has the molecular formula C14H24F3N3 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-(ethylamino)-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
PubChem CID79565360
Molecular FormulaC14H24F3N3
Molecular Weight291.36 g/mol
Exact Mass291.19
IUPAC Name1-(ethylamino)-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCN(CC)CC(F)(F)F
InChIInChI=1S/C14H24F3N3/c1-3-19-13(10-18)8-5-6-12(13)7-9-20(4-2)11-14(15,16)17/h12,19H,3-9,11H2,1-2H3
InChIKeyIQDNREONSJXJGB-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 1-(ethylamino)-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]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 1-(ethylamino)-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile (CID 79565360) is 1-(ethylamino)-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile is CCNC1(C#N)CCCC1CCN(CC)CC(F)(F)F.
What is the InChIKey of 1-(ethylamino)-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is IQDNREONSJXJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3/c1-3-19-13(10-18)8-5-6-12(13)7-9-20(4-2)11-14(15,16)17/h12,19H,3-9,11H2,1-2H3.
What are the key properties of 1-(ethylamino)-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
1-(ethylamino)-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]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 1-(ethylamino)-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79565360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).