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

C14H27F3N2O2 — CID 64709838

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

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

methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate (PubChem CID 64709838) has the molecular formula C14H27F3N2O2 and a molecular weight of 312.38 g/mol. Its IUPAC name is methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate
PubChem CID64709838
Molecular FormulaC14H27F3N2O2
Molecular Weight312.38 g/mol
Exact Mass312.20
IUPAC Namemethyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate
SMILESCCCNC(C)(CC(C)N(CC)CC(F)(F)F)C(=O)OC
InChIInChI=1S/C14H27F3N2O2/c1-6-8-18-13(4,12(20)21-5)9-11(3)19(7-2)10-14(15,16)17/h11,18H,6-10H2,1-5H3
InChIKeyJOABZSNLIJACQL-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

2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide
CID 64712180
methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64711767
methyl 2-methyl-2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64711376
methyl 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanoate
CID 64710823
methyl 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)pentanoate
CID 82005665
methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate
CID 64705937
methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64727339
2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide
CID 64711790
ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64710237
4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64726647
methyl 4-imidazol-1-yl-2-methyl-2-(propylamino)pentanoate
CID 64704484
methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate
CID 60796248

Frequently Asked Questions

What is the IUPAC name of methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate?
The IUPAC name of methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate (CID 64709838) is methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate.
What is the SMILES notation for methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate?
The canonical SMILES for methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate is CCCNC(C)(CC(C)N(CC)CC(F)(F)F)C(=O)OC.
What is the InChIKey of methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate?
The InChIKey is JOABZSNLIJACQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O2/c1-6-8-18-13(4,12(20)21-5)9-11(3)19(7-2)10-14(15,16)17/h11,18H,6-10H2,1-5H3.
What are the key properties of methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate?
methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)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 methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate is sourced from PubChem (CID 64709838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).