methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate

C12H23F3N2O2 — CID 64711767

IUPACmethyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate
SMILESCCNC(C)(CC(C)N(C)CC(F)(F)F)C(=O)OC
InChIInChI=1S/C12H23F3N2O2/c1-6-16-11(3,10(18)19-5)7-9(2)17(4)8-12(13,14)15/h9,16H,6-8H2,1-5H3
InChIKeyQSMMCWBUWNISQT-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.80
Rot. Bonds7

About methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate

methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate (PubChem CID 64711767) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate
PubChem CID64711767
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Namemethyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate
SMILESCCNC(C)(CC(C)N(C)CC(F)(F)F)C(=O)OC
InChIInChI=1S/C12H23F3N2O2/c1-6-16-11(3,10(18)19-5)7-9(2)17(4)8-12(13,14)15/h9,16H,6-8H2,1-5H3
InChIKeyQSMMCWBUWNISQT-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64711376
methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64703757
ethyl 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710599
methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate
CID 64709838
methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate
CID 64710892
methyl 4-butan-2-ylsulfanyl-2-(ethylamino)-2-methylpentanoate
CID 64709268
methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate
CID 64704572
ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64704564
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentanoic acid
CID 64727236
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 78998497
methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate
CID 55226782

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate (CID 64711767) is methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate is CCNC(C)(CC(C)N(C)CC(F)(F)F)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate?
The InChIKey is QSMMCWBUWNISQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-6-16-11(3,10(18)19-5)7-9(2)17(4)8-12(13,14)15/h9,16H,6-8H2,1-5H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate?
methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate has a molecular weight of 284.32 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate is sourced from PubChem (CID 64711767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).