2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide

C9H14F3N3O — CID 79805675

IUPAC2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide
SMILESCC(C#N)CN(C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-6(4-13)5-15(3)7(16)8(2,14)9(10,11)12/h6H,5,14H2,1-3H3
InChIKeyTXEHBIRZSHFRSO-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.88
Rot. Bonds3

About 2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide

2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide (PubChem CID 79805675) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide
PubChem CID79805675
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide
SMILESCC(C#N)CN(C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-6(4-13)5-15(3)7(16)8(2,14)9(10,11)12/h6H,5,14H2,1-3H3
InChIKeyTXEHBIRZSHFRSO-UHFFFAOYSA-N
XLogP0.88
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-3-fluoro-2-(fluoromethyl)-N-methylpropanamide
CID 22002024
N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 53551004
2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54939964
2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54979694
2-(ethylamino)-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 55121532
2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60947771
(2S)-2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 61147617
2-amino-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61264075
2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61264076
2-amino-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 61264851
2-amino-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 61264854
2-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61265220

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide?
The IUPAC name of 2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide (CID 79805675) is 2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide.
What is the SMILES notation for 2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide?
The canonical SMILES for 2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide is CC(C#N)CN(C)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide?
The InChIKey is TXEHBIRZSHFRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-6(4-13)5-15(3)7(16)8(2,14)9(10,11)12/h6H,5,14H2,1-3H3.
What are the key properties of 2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide?
2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide has a molecular weight of 237.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide is sourced from PubChem (CID 79805675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).