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

C15H26F3N3 — CID 106803166

IUPAC5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCC(C#N)(CCCN(CC(F)(F)F)C1CC1)NC(C)C
InChIInChI=1S/C15H26F3N3/c1-4-14(10-19,20-12(2)3)8-5-9-21(13-6-7-13)11-15(16,17)18/h12-13,20H,4-9,11H2,1-3H3
InChIKeyNREUSXJHBPBTJE-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.46
Rot. Bonds9

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

5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 106803166) has the molecular formula C15H26F3N3 and a molecular weight of 305.39 g/mol. Its IUPAC name is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID106803166
Molecular FormulaC15H26F3N3
Molecular Weight305.39 g/mol
Exact Mass305.21
IUPAC Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCC(C#N)(CCCN(CC(F)(F)F)C1CC1)NC(C)C
InChIInChI=1S/C15H26F3N3/c1-4-14(10-19,20-12(2)3)8-5-9-21(13-6-7-13)11-15(16,17)18/h12-13,20H,4-9,11H2,1-3H3
InChIKeyNREUSXJHBPBTJE-UHFFFAOYSA-N
XLogP3.46
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803169
5-[cyclopentyl(ethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803040
2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802964
2-ethyl-2-(propan-2-ylamino)-5-(4,4,4-trifluorobutoxy)pentanenitrile
CID 106804907
2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802974
5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803389
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803224
2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803055
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803221
5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803411

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile (CID 106803166) is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile is CCC(C#N)(CCCN(CC(F)(F)F)C1CC1)NC(C)C.
What is the InChIKey of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is NREUSXJHBPBTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3/c1-4-14(10-19,20-12(2)3)8-5-9-21(13-6-7-13)11-15(16,17)18/h12-13,20H,4-9,11H2,1-3H3.
What are the key properties of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 305.39 g/mol, XLogP of 3.46, 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-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 106803166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).