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

C11H18F3N3 — CID 63912233

IUPAC2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile
SMILESCC(C)N(CC(F)(F)F)CC(N)(C#N)C1CC1
InChIInChI=1S/C11H18F3N3/c1-8(2)17(7-11(12,13)14)6-10(16,5-15)9-3-4-9/h8-9H,3-4,6-7,16H2,1-2H3
InChIKeyGHJFGAUIIGWPAD-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.89
Rot. Bonds5

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

2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile (PubChem CID 63912233) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile
PubChem CID63912233
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile
SMILESCC(C)N(CC(F)(F)F)CC(N)(C#N)C1CC1
InChIInChI=1S/C11H18F3N3/c1-8(2)17(7-11(12,13)14)6-10(16,5-15)9-3-4-9/h8-9H,3-4,6-7,16H2,1-2H3
InChIKeyGHJFGAUIIGWPAD-UHFFFAOYSA-N
XLogP1.89
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile (CID 63912233) is 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile is CC(C)N(CC(F)(F)F)CC(N)(C#N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile?
The InChIKey is GHJFGAUIIGWPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-8(2)17(7-11(12,13)14)6-10(16,5-15)9-3-4-9/h8-9H,3-4,6-7,16H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile?
2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile has a molecular weight of 249.28 g/mol, XLogP of 1.89, 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-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile is sourced from PubChem (CID 63912233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).