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

C13H20F3N3 — CID 63914199

IUPAC2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN(CC(F)(F)F)C1CC1)C1CC1
InChIInChI=1S/C13H20F3N3/c1-2-18-12(7-17,10-3-4-10)8-19(11-5-6-11)9-13(14,15)16/h10-11,18H,2-6,8-9H2,1H3
InChIKeyQONTVHCPVGNHJZ-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.29
Rot. Bonds7

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

2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)propanenitrile (PubChem CID 63914199) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)propanenitrile
PubChem CID63914199
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN(CC(F)(F)F)C1CC1)C1CC1
InChIInChI=1S/C13H20F3N3/c1-2-18-12(7-17,10-3-4-10)8-19(11-5-6-11)9-13(14,15)16/h10-11,18H,2-6,8-9H2,1H3
InChIKeyQONTVHCPVGNHJZ-UHFFFAOYSA-N
XLogP2.29
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)propanenitrile (CID 63914199) is 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)propanenitrile is CCNC(C#N)(CN(CC(F)(F)F)C1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)propanenitrile?
The InChIKey is QONTVHCPVGNHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-2-18-12(7-17,10-3-4-10)8-19(11-5-6-11)9-13(14,15)16/h10-11,18H,2-6,8-9H2,1H3.
What are the key properties of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)propanenitrile?
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)propanenitrile has a molecular weight of 275.32 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)propanenitrile is sourced from PubChem (CID 63914199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).