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

C12H18F3N3 — CID 63912887

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile
SMILESCN(CC(F)(F)F)CC(C#N)(NC1CC1)C1CC1
InChIInChI=1S/C12H18F3N3/c1-18(8-12(13,14)15)7-11(6-16,9-2-3-9)17-10-4-5-10/h9-10,17H,2-5,7-8H2,1H3
InChIKeyYXEBPHZGUYTSDH-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.90
Rot. Bonds6

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

2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile (PubChem CID 63912887) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile
PubChem CID63912887
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile
SMILESCN(CC(F)(F)F)CC(C#N)(NC1CC1)C1CC1
InChIInChI=1S/C12H18F3N3/c1-18(8-12(13,14)15)7-11(6-16,9-2-3-9)17-10-4-5-10/h9-10,17H,2-5,7-8H2,1H3
InChIKeyYXEBPHZGUYTSDH-UHFFFAOYSA-N
XLogP1.90
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile (CID 63912887) is 2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile is CN(CC(F)(F)F)CC(C#N)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The InChIKey is YXEBPHZGUYTSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-18(8-12(13,14)15)7-11(6-16,9-2-3-9)17-10-4-5-10/h9-10,17H,2-5,7-8H2,1H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile?
2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile has a molecular weight of 261.29 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile is sourced from PubChem (CID 63912887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).