ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate

C14H27F3N2O2 — CID 64710237

IUPACethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate
SMILESCCCN(CC(F)(F)F)C(C)CC(C)(NC)C(=O)OCC
InChIInChI=1S/C14H27F3N2O2/c1-6-8-19(10-14(15,16)17)11(3)9-13(4,18-5)12(20)21-7-2/h11,18H,6-10H2,1-5H3
InChIKeyQXGUUBGWGZGGPU-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.58
Rot. Bonds9

About ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate

ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate (PubChem CID 64710237) has the molecular formula C14H27F3N2O2 and a molecular weight of 312.38 g/mol. Its IUPAC name is ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate
PubChem CID64710237
Molecular FormulaC14H27F3N2O2
Molecular Weight312.38 g/mol
Exact Mass312.20
IUPAC Nameethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate
SMILESCCCN(CC(F)(F)F)C(C)CC(C)(NC)C(=O)OCC
InChIInChI=1S/C14H27F3N2O2/c1-6-8-19(10-14(15,16)17)11(3)9-13(4,18-5)12(20)21-7-2/h11,18H,6-10H2,1-5H3
InChIKeyQXGUUBGWGZGGPU-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate
CID 64725654
2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide
CID 64712180
ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate
CID 64726602
2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 64826092
ethyl 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710599
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
CID 64706802
methyl 2-methyl-2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64711376
ethyl 2-methyl-2-(methylamino)-4-(4,4,4-trifluorobutoxy)pentanoate
CID 82792603
3-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63585782
methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate
CID 64709838
ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 107480919
ethyl 2-methyl-2-(methylamino)-4-(2-methylpropylsulfanyl)pentanoate
CID 64712158

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate?
The IUPAC name of ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate (CID 64710237) is ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate?
The canonical SMILES for ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate is CCCN(CC(F)(F)F)C(C)CC(C)(NC)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate?
The InChIKey is QXGUUBGWGZGGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O2/c1-6-8-19(10-14(15,16)17)11(3)9-13(4,18-5)12(20)21-7-2/h11,18H,6-10H2,1-5H3.
What are the key properties of ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate?
ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate has a molecular weight of 312.38 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate is sourced from PubChem (CID 64710237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).