2-amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile

C11H16F3N3 — CID 63913981

IUPAC2-amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile
SMILESN#CC(N)(CN(CC(F)(F)F)C1CC1)C1CC1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)7-17(9-3-4-9)6-10(16,5-15)8-1-2-8/h8-9H,1-4,6-7,16H2
InChIKeySVMOCVAXCLTWON-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.64
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile

2-amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile (PubChem CID 63913981) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile
PubChem CID63913981
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2-amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile
SMILESN#CC(N)(CN(CC(F)(F)F)C1CC1)C1CC1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)7-17(9-3-4-9)6-10(16,5-15)8-1-2-8/h8-9H,1-4,6-7,16H2
InChIKeySVMOCVAXCLTWON-UHFFFAOYSA-N
XLogP1.64
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile (CID 63913981) is 2-amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile is N#CC(N)(CN(CC(F)(F)F)C1CC1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The InChIKey is SVMOCVAXCLTWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c12-11(13,14)7-17(9-3-4-9)6-10(16,5-15)8-1-2-8/h8-9H,1-4,6-7,16H2.
What are the key properties of 2-amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile?
2-amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile has a molecular weight of 247.26 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile is sourced from PubChem (CID 63913981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).