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

C14H24F3N3 — CID 106803169

IUPAC5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C14H24F3N3/c1-3-13(10-18,19-4-2)8-5-9-20(12-6-7-12)11-14(15,16)17/h12,19H,3-9,11H2,1-2H3
InChIKeyLWQVUNUKVCFQKO-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.08
Rot. Bonds9

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

5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile (PubChem CID 106803169) has the molecular formula C14H24F3N3 and a molecular weight of 291.36 g/mol. Its IUPAC name is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile.

Molecular Properties

Compound Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
PubChem CID106803169
Molecular FormulaC14H24F3N3
Molecular Weight291.36 g/mol
Exact Mass291.19
IUPAC Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C14H24F3N3/c1-3-13(10-18,19-4-2)8-5-9-20(12-6-7-12)11-14(15,16)17/h12,19H,3-9,11H2,1-2H3
InChIKeyLWQVUNUKVCFQKO-UHFFFAOYSA-N
XLogP3.08
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803224
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803166
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803221
2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 106803158
5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803133
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803222
5-[cyclopropyl(propyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803009
5-[cyclopentyl(ethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803040
2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 106803716
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803296
N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 62428428
2-ethyl-2-(ethylamino)-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanenitrile
CID 106804946

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile?
The IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile (CID 106803169) is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile.
What is the SMILES notation for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile?
The canonical SMILES for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile is CCNC(C#N)(CC)CCCN(CC(F)(F)F)C1CC1.
What is the InChIKey of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile?
The InChIKey is LWQVUNUKVCFQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3/c1-3-13(10-18,19-4-2)8-5-9-20(12-6-7-12)11-14(15,16)17/h12,19H,3-9,11H2,1-2H3.
What are the key properties of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile?
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile has a molecular weight of 291.36 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile is sourced from PubChem (CID 106803169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).