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

C10H16F3N3 — CID 63913108

IUPAC2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanenitrile
SMILESCCN(CC(F)(F)F)CC(N)(C#N)C1CC1
InChIInChI=1S/C10H16F3N3/c1-2-16(7-10(11,12)13)6-9(15,5-14)8-3-4-8/h8H,2-4,6-7,15H2,1H3
InChIKeyANFWCCBAKHWDPY-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.50
Rot. Bonds5

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

2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanenitrile (PubChem CID 63913108) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanenitrile
PubChem CID63913108
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanenitrile
SMILESCCN(CC(F)(F)F)CC(N)(C#N)C1CC1
InChIInChI=1S/C10H16F3N3/c1-2-16(7-10(11,12)13)6-9(15,5-14)8-3-4-8/h8H,2-4,6-7,15H2,1H3
InChIKeyANFWCCBAKHWDPY-UHFFFAOYSA-N
XLogP1.50
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.50
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-[ethyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanenitrile (CID 63913108) is 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanenitrile is CCN(CC(F)(F)F)CC(N)(C#N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The InChIKey is ANFWCCBAKHWDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-2-16(7-10(11,12)13)6-9(15,5-14)8-3-4-8/h8H,2-4,6-7,15H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanenitrile?
2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanenitrile has a molecular weight of 235.25 g/mol, XLogP of 1.50, 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-[ethyl(2,2,2-trifluoroethyl)amino]propanenitrile is sourced from PubChem (CID 63913108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).