2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile

C14H26F3N3 — CID 106803158

IUPAC2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H26F3N3/c1-5-13(10-18,19-6-2)8-7-9-20(12(3)4)11-14(15,16)17/h12,19H,5-9,11H2,1-4H3
InChIKeyLTOLHKWMBSFRCE-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.32
Rot. Bonds9

About 2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile

2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile (PubChem CID 106803158) has the molecular formula C14H26F3N3 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
PubChem CID106803158
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC Name2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H26F3N3/c1-5-13(10-18,19-6-2)8-7-9-20(12(3)4)11-14(15,16)17/h12,19H,5-9,11H2,1-4H3
InChIKeyLTOLHKWMBSFRCE-UHFFFAOYSA-N
XLogP3.32
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803169
2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802974
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803296
2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 106803716
2-ethyl-2-(ethylamino)-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanenitrile
CID 106804946
2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile
CID 106804405
2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile
CID 106802975
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803166
2-(cyclopropylamino)-2-ethyl-5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 106803291
5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803133
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803224
2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile
CID 106803449

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile (CID 106803158) is 2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile is CCNC(C#N)(CC)CCCN(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile?
The InChIKey is LTOLHKWMBSFRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3/c1-5-13(10-18,19-6-2)8-7-9-20(12(3)4)11-14(15,16)17/h12,19H,5-9,11H2,1-4H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile?
2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile has a molecular weight of 293.38 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile is sourced from PubChem (CID 106803158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).