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

C14H22F3N3 — CID 63913765

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

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

2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanenitrile (PubChem CID 63913765) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanenitrile
PubChem CID63913765
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC Name2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(CN(CC(F)(F)F)C1CC1)C1CC1
InChIInChI=1S/C14H22F3N3/c1-10(2)19-13(7-18,11-3-4-11)8-20(12-5-6-12)9-14(15,16)17/h10-12,19H,3-6,8-9H2,1-2H3
InChIKeyHPRHEBKAQKZKIA-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-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanenitrile (CID 63913765) is 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C#N)(CN(CC(F)(F)F)C1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanenitrile?
The InChIKey is HPRHEBKAQKZKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-10(2)19-13(7-18,11-3-4-11)8-20(12-5-6-12)9-14(15,16)17/h10-12,19H,3-6,8-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)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-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63913765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).