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

C11H18F3N3 — CID 79564738

IUPAC1-amino-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCN(CCC1CCCC1(N)C#N)CC(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-17(8-11(12,13)14)6-4-9-3-2-5-10(9,16)7-15/h9H,2-6,8,16H2,1H3
InChIKeyZBHPOHDIDAEGDT-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.89
Rot. Bonds4

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

1-amino-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile (PubChem CID 79564738) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-amino-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
PubChem CID79564738
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name1-amino-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCN(CCC1CCCC1(N)C#N)CC(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-17(8-11(12,13)14)6-4-9-3-2-5-10(9,16)7-15/h9H,2-6,8,16H2,1H3
InChIKeyZBHPOHDIDAEGDT-UHFFFAOYSA-N
XLogP1.89
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile (CID 79564738) is 1-amino-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile is CN(CCC1CCCC1(N)C#N)CC(F)(F)F.
What is the InChIKey of 1-amino-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is ZBHPOHDIDAEGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-17(8-11(12,13)14)6-4-9-3-2-5-10(9,16)7-15/h9H,2-6,8,16H2,1H3.
What are the key properties of 1-amino-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 249.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79564738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).