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

C14H20F3N3 — CID 63913982

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile
SMILESN#CC(CN(CC(F)(F)F)C1CC1)(NC1CC1)C1CC1
InChIInChI=1S/C14H20F3N3/c15-14(16,17)9-20(12-5-6-12)8-13(7-18,10-1-2-10)19-11-3-4-11/h10-12,19H,1-6,8-9H2
InChIKeyGDUOAXFDSJAXHX-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.44
Rot. Bonds7

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

2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile (PubChem CID 63913982) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile
PubChem CID63913982
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile
SMILESN#CC(CN(CC(F)(F)F)C1CC1)(NC1CC1)C1CC1
InChIInChI=1S/C14H20F3N3/c15-14(16,17)9-20(12-5-6-12)8-13(7-18,10-1-2-10)19-11-3-4-11/h10-12,19H,1-6,8-9H2
InChIKeyGDUOAXFDSJAXHX-UHFFFAOYSA-N
XLogP2.44
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.44
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-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile (CID 63913982) is 2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile is N#CC(CN(CC(F)(F)F)C1CC1)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The InChIKey is GDUOAXFDSJAXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c15-14(16,17)9-20(12-5-6-12)8-13(7-18,10-1-2-10)19-11-3-4-11/h10-12,19H,1-6,8-9H2.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile?
2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile has a molecular weight of 287.33 g/mol, XLogP of 2.44, 7 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-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile is sourced from PubChem (CID 63913982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).