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

C14H22F3N3 — CID 63912453

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile
SMILESCC(C)N(CC(F)(F)F)CC(C#N)(NC1CC1)C1CC1
InChIInChI=1S/C14H22F3N3/c1-10(2)20(9-14(15,16)17)8-13(7-18,11-3-4-11)19-12-5-6-12/h10-12,19H,3-6,8-9H2,1-2H3
InChIKeyDYFHJQDELUELGX-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.68
Rot. Bonds7

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

2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile (PubChem CID 63912453) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile
PubChem CID63912453
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile
SMILESCC(C)N(CC(F)(F)F)CC(C#N)(NC1CC1)C1CC1
InChIInChI=1S/C14H22F3N3/c1-10(2)20(9-14(15,16)17)8-13(7-18,11-3-4-11)19-12-5-6-12/h10-12,19H,3-6,8-9H2,1-2H3
InChIKeyDYFHJQDELUELGX-UHFFFAOYSA-N
XLogP2.68
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.68
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-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile (CID 63912453) is 2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile is CC(C)N(CC(F)(F)F)CC(C#N)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile?
The InChIKey is DYFHJQDELUELGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-10(2)20(9-14(15,16)17)8-13(7-18,11-3-4-11)19-12-5-6-12/h10-12,19H,3-6,8-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile?
2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile has a molecular weight of 289.34 g/mol, XLogP of 2.68, 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-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile is sourced from PubChem (CID 63912453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).