N-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide

C12H23F3N2O2 — CID 106250127

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(CC)(CN)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-3-11(4-2,7-16)8-17-10(18)5-6-19-9-12(13,14)15/h3-9,16H2,1-2H3,(H,17,18)
InChIKeyLKEXTLFRAUDDRK-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.84
Rot. Bonds9

About N-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 106250127) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID106250127
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(CC)(CN)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-3-11(4-2,7-16)8-17-10(18)5-6-19-9-12(13,14)15/h3-9,16H2,1-2H3,(H,17,18)
InChIKeyLKEXTLFRAUDDRK-UHFFFAOYSA-N
XLogP1.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide
CID 58502648
N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide
CID 58792662
N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane
CID 123792062
(2R)-2-(methoxymethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 156078479
N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane
CID 159958279
2-(aminomethyl)-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 55260881
N-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 56784198
2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide
CID 78861039
[2-(Butylcarbamoyl)-2-methylbutyl] 2,2,2-trifluoroacetate
CID 102222875
N-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 102914289
N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205439
N-(4-aminobutyl)-3-(2,2-difluoroethoxy)propanamide
CID 103205451

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 106250127) is N-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide is CCC(CC)(CN)CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is LKEXTLFRAUDDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-3-11(4-2,7-16)8-17-10(18)5-6-19-9-12(13,14)15/h3-9,16H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 284.32 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 106250127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).