2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide

C8H15F3N2O — CID 114290297

IUPAC2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(C)(CN)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-3-7(2,4-12)6(14)13-5-8(9,10)11/h3-5,12H2,1-2H3,(H,13,14)
InChIKeyUUSDGAQPIQHIDI-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.04
Rot. Bonds4

About 2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide

2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 114290297) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID114290297
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(C)(CN)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-3-7(2,4-12)6(14)13-5-8(9,10)11/h3-5,12H2,1-2H3,(H,13,14)
InChIKeyUUSDGAQPIQHIDI-UHFFFAOYSA-N
XLogP1.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-ethyl-2-methylbutanamide
CID 114290216
2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide
CID 114941575
2-(aminomethyl)-N,2-dimethylbutanamide
CID 114290214
2-(aminomethyl)-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904797
5-(aminomethyl)-1,1,1-trifluoro-5-methylheptan-4-one
CID 116611006
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
(2S)-2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide
CID 87260139
2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759857
2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
CID 113270004
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide
CID 114290774
N-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide
CID 114383402
2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 114290570

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide (CID 114290297) is 2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide is CCC(C)(CN)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is UUSDGAQPIQHIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-3-7(2,4-12)6(14)13-5-8(9,10)11/h3-5,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 212.21 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 114290297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).